verapamil [Ligand Id: 2406] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL6966 (CP-16,533-1, CP-165331, D-365, Iproveratril, NSC-272306NA, Verapamil, Verapamilo, Verapamil slow release) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| α1A-adrenoceptor/Alpha-1a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.07 | pKi | 847 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.68 | pIC50 | 2092 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.03 | pKi | 940 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.77 | pIC50 | 1698 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 6.66 | pKi | 217 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 6.24 | pIC50 | 579 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | TP_TRANSPORTER: efflux of Hoechst33342 in BCRP-expressing Sf9 cells | F | 4.3 | pIC50 | >50000 | nM | IC50 | Mol Pharmacol (2004) 65: 1485-1495 [PMID:15155841] |
| ChEMBL | Reversal of BCRP-mediated multidrug resistance in human KBV cells assessed as mitoxantrone IC50 at 10 uM after 72 hrs in presence of mitoxantrone by MTT assay (Rvb = 1186.50 +/- 29.24 nM) | B | 5.92 | pIC50 | 1193.38 | nM | IC50 | Eur J Med Chem (2021) 216: 113317-113317 [PMID:33706147] |
| ChEMBL | Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins prior to rhodamine-123 addition measured after 90 mins by fluorescence analysis | B | 4.43 | pEC50 | 37300 | nM | EC50 | Bioorg Med Chem (2014) 22: 5860-5870 [PMID:25311564] |
| ChEMBL | Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase in Hoechst 33342 accumulation incubated for 30 mins by Hoechst 33342 dye based fluorescence assay | B | 6.05 | pEC50 | 900 | nM | EC50 | Eur J Med Chem (2019) 182: 111655-111655 [PMID:31494468] |
| ABCB11/Bile salt export pump in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6020] [GtoPdb: 778] [UniProtKB: O95342] | ||||||||
| ChEMBL | TP_TRANSPORTER: increase in bodipy intracellular accumulation (Bodipy: 0.2 uM) in SK-E2 cells (expressing BSEP) | F | 4.1 | pIC50 | 79100 | nM | IC50 | Pharm Res (2003) 20: 537-544 [PMID:12739759] |
| ABCC2/Canalicular multispecific organic anion transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5748] [GtoPdb: 780] [UniProtKB: Q92887] | ||||||||
| ChEMBL | Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 10 uM after 72 hrs in presence of cisplatin by MTT assay (Rvb = 4902.89 +/- 130.33 nM) | B | 5.3 | pIC50 | >5000 | nM | IC50 | Eur J Med Chem (2021) 216: 113317-113317 [PMID:33706147] |
| Chloroquine resistance transporter in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795182] [UniProtKB: Q9N623] | ||||||||
| ChEMBL | Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-chloroquine transportation after 1 to 2 hrs | B | 4.48 | pIC50 | 33000 | nM | IC50 | ACS Med Chem Lett (2014) 5: 576-581 [PMID:24900883] |
| ChEMBL | Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs | B | 4.52 | pIC50 | 30000 | nM | IC50 | J Med Chem (2012) 55: 6948-6967 [PMID:22783984] |
| ChEMBL | Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptake after 1.5 to 2 hrs | B | 4.52 | pIC50 | 30000 | nM | IC50 | J Med Chem (2012) 55: 10387-10404 [PMID:23145816] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 7.2 | pKi | 63 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 6.73 | pIC50 | 186 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibitory concentration against IKr potassium channel | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 4771-4777 [PMID:15324906] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method | B | 6.28 | pIC50 | 530 | nM | IC50 | Bioorg Med Chem (2017) 25: 5341-5354 [PMID:28797771] |
| ChEMBL | Inhibition of human ERG | B | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2020) 63: 5865-5878 [PMID:32390424] |
| ChEMBL | Inhibition of human ERG stably expressed in CHO-K1 cells at -90 mV holding potential by automated Q-patch clamp method | B | 6.7 | pIC50 | 200 | nM | IC50 | ACS Med Chem Lett (2021) 12: 1333-1341 [PMID:34413963] |
| ChEMBL | Inhibition of human ERG in MCF7 cells | B | 6.84 | pIC50 | 144.54 | nM | IC50 | Eur J Med Chem (2009) 44: 1926-1932 [PMID:19110341] |
| ChEMBL | Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open state | F | 6.84 | pIC50 | 144.54 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 1737-1741 [PMID:15745831] |
| ChEMBL | Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 | B | 6.84 | pIC50 | 143 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1829-1835 [PMID:12729675] |
| ChEMBL | K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1 | F | 6.84 | pIC50 | 143 | nM | IC50 | J Med Chem (2002) 45: 3844-3853 [PMID:12190308] |
| ChEMBL | Inhibition of hERG K channel | F | 6.84 | pIC50 | 143 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | B | 6.85 | pIC50 | 141.25 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
| ChEMBL | Inhibitory concentration against potassium channel HERG | B | 6.85 | pIC50 | 141.25 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273] |
| ChEMBL | Inhibition of human Potassium channel HERG expressed in mammalian cells | B | 6.85 | pIC50 | 141.25 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512] |
| ChEMBL | Inhibition of human ERG | B | 6.85 | pIC50 | 141.25 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| ChEMBL | Inhibition of human ERG | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2013) 56: 8955-8971 [PMID:23919353] |
| H2 receptor/Histamine H2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1941] [GtoPdb: 263] [UniProtKB: P25021] | ||||||||
| ChEMBL | DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) | B | 5.59 | pKi | 2547 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) | B | 5.59 | pIC50 | 2590 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ABCC1/Multidrug resistance-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527] | ||||||||
| ChEMBL | Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis | B | 4.87 | pKi | 13400 | nM | Ki | J Med Chem (2009) 52: 5311-5322 [PMID:19725578] |
| ChEMBL | Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis | B | 4.88 | pKi | 13200 | nM | Ki | J Med Chem (2009) 52: 5311-5322 [PMID:19725578] |
| ChEMBL | Inhibition of human MRP1 in human 2008 cells | B | 5.02 | pIC50 | 9660 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4761-4763 [PMID:18707884] |
| ChEMBL | Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay | B | 5.17 | pIC50 | 6800 | nM | IC50 | J Med Chem (2012) 55: 424-436 [PMID:22112208] |
| ChEMBL | Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured after 30 mins by spectrofluorimetric method | B | 5.35 | pIC50 | 4500 | nM | IC50 | Eur J Med Chem (2019) 161: 433-444 [PMID:30384046] |
| ChEMBL | Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay | B | 5.46 | pIC50 | 3500 | nM | IC50 | J Med Chem (2014) 57: 6403-6418 [PMID:25093931] |
| ChEMBL | Inhibition of ABCC1 (unknown origin) overexpressing human KBV cells mediated efflux assessed as adriamycin IC50 using adriamycin as substrate at 10 uM | B | 7.1 | pIC50 | 79 | nM | IC50 | J Med Chem (2023) 66: 8628-8642 [PMID:37332162] |
| ChEMBL | Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior to calcein AM addition measured after 30 mins by fluorescence analysis | B | 4.56 | pEC50 | 27800 | nM | EC50 | Bioorg Med Chem (2014) 22: 5860-5870 [PMID:25311564] |
| ChEMBL | Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye based fluorescence assay | B | 5.17 | pEC50 | 6800 | nM | EC50 | Eur J Med Chem (2019) 182: 111655-111655 [PMID:31494468] |
| ChEMBL | Inhibition of MRP1 (unknown origin) in MDCK-MDR1 assessed as inhibtion of calcein-AM transport incubated for 30 mins by fluorescence assay | B | 5.17 | pEC50 | 6800 | nM | EC50 | Eur J Med Chem (2019) 172: 71-94 [PMID:30947123] |
| ChEMBL | Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival after 5 days by MTS assay | B | 5.72 | pEC50 | 1925 | nM | EC50 | J Med Chem (2018) 61: 9931-9951 [PMID:30351934] |
| Muscarinic acetylcholine receptor M2 in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4781] [UniProtKB: P06199] | ||||||||
| ChEMBL | Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor M2 of porcine heart | B | 4.51 | pEC50 | 30974.19 | nM | EC50 | J Med Chem (2003) 46: 1390-1407 [PMID:12672239] |
| Translocator protein/Peripheral-type benzodiazepine receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4552] [GtoPdb: 2879] [UniProtKB: P16257] | ||||||||
| ChEMBL | Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate. | B | 8.85 | pIC50 | 1.4 | nM | IC50 | J Med Chem (1996) 39: 2922-2938 [PMID:8709127] |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells | F | 4.82 | pKi | 15100 | nM | Ki | Pharm Res (2002) 19: 765-772 [PMID:12134945] |
| ChEMBL | TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells | F | 5.52 | pKi | 3000 | nM | Ki | Pharm Res (2001) 18: 171-176 [PMID:11405287] |
| ChEMBL | Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model | B | 5.6 | pKi | 2500 | nM | Ki | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
| ChEMBL | Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Dixon plot analysis | B | 5.76 | pKi | 1750 | nM | Ki | J Med Chem (2012) 55: 1999-2014 [PMID:22320402] |
| ChEMBL | Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Lineweaver-Burk plot analysis | B | 5.76 | pKi | 1750 | nM | Ki | J Med Chem (2012) 55: 1999-2014 [PMID:22320402] |
| ChEMBL | TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells | F | 6.06 | pKi | 880 | nM | Ki | Pharm Res (2003) 20: 161-168 [PMID:12636153] |
| ChEMBL | High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model | B | 6.52 | pKi | 300 | nM | Ki | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
| ChEMBL | Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured after 15 mins by fluorescence assay | B | 4.18 | pIC50 | 65600 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5168-5171 [PMID:27727127] |
| ChEMBL | Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in the absence of 10 nM vincristine | F | 4.28 | pIC50 | 53000 | nM | IC50 | Bioorg Med Chem Lett (1999) 9: 1541-1546 [PMID:10386932] |
| ChEMBL | TP_TRANSPORTER: inhibition of JC-1 efflux in NIH-3T3-G185 cells | F | 4.38 | pIC50 | 42000 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | TP_TRANSPORTER: inhibition of Tetramethylrosamine efflux in NIH-3T3-G185 cells | F | 4.42 | pIC50 | 38200 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs followed by compound washout measured immediately by MTT assay (Rvb = 51.34 +/- 5.1 uM) | B | 4.5 | pIC50 | 31280 | nM | IC50 | Bioorg Med Chem (2017) 25: 4194-4202 [PMID:28645831] |
| ChEMBL | Inhibition of P-gp mediated doxorubicin resistance in human SW620/AD300 cells overexpressing P-gp measured after 48 hrs by MTT assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Nat Prod (2022) 85: 337-344 [PMID:35073486] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in NIH-3T3-G185 cells | F | 4.54 | pIC50 | 28900 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 2 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay | B | 4.69 | pIC50 | 20200 | nM | IC50 | J Med Chem (2021) 64: 14895-14911 [PMID:34546748] |
| ChEMBL | TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cells | F | 4.72 | pIC50 | 18900 | nM | IC50 | J Pharmacol Exp Ther (2003) 305: 197-204 [PMID:12649369] |
| ChEMBL | Inhibition of human recombinant P-glycoprotein after 40 mins by Pgp-Glo assay | B | 4.74 | pIC50 | 18000 | nM | IC50 | J Med Chem (2012) 55: 8152-8163 [PMID:22916727] |
| ChEMBL | Reversal of P-gp mediated multidrug resistance in human MCF7/ADM cells assessed as doxorubicin IC50 at 5 uM measured within 48 hrs by MTT assay (Rvb = 151.7 +/- 5 uM) | B | 4.75 | pIC50 | 17800 | nM | IC50 | Eur J Med Chem (2019) 183: 111726-111726 [PMID:31585275] |
| ChEMBL | Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after 48 hrs by MTT assay (Rvb = 43.75 to 96.91 uM) | B | 4.76 | pIC50 | 17550 | nM | IC50 | Bioorg Med Chem (2017) 25: 4194-4202 [PMID:28645831] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuring adriamycin IC50 after 48 hrs by MTT assay | B | 4.76 | pIC50 | 17250 | nM | IC50 | Eur J Med Chem (2022) 233: 114231-114231 [PMID:35247755] |
| ChEMBL | Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Calcein-AM uptake treated 30 mins before Calcein-AM challenge measured after 20 mins | B | 4.85 | pIC50 | 14000 | nM | IC50 | J Med Chem (2009) 52: 3328-3341 [PMID:19402665] |
| ChEMBL | Inhibition of human P-glycoprotein 1 ATPase activity assessed as remaining ATP level by luminescence analysis | B | 4.92 | pIC50 | 12000 | nM | IC50 | Medchemcomm (2013) 4: 278-288 |
| ChEMBL | Inhibition of P-glycoprotein in human MCF7/ADR cells assessed as reversal fold by measuring reduction in doxorubicin IC50 at 5 uM incubated for 48 hrs by CCK-8 assay | B | 4.92 | pIC50 | 11900 | nM | IC50 | Eur J Med Chem (2021) 216: 113336-113336 [PMID:33725657] |
| ChEMBL | Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 measured after 48 hrs by MTT assay (Rvb = 51.34 +/- 5.1 uM) | B | 4.97 | pIC50 | 10730 | nM | IC50 | Bioorg Med Chem (2017) 25: 4194-4202 [PMID:28645831] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of irinotecan-induced cytotoxicity by measuring irinotecan IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 49.2 +/- 0.46 nM) | B | 4.98 | pIC50 | 10370 | nM | IC50 | Eur J Med Chem (2019) 182: 111668-111668 [PMID:31505451] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 12.5 uM after 48 hrs by MTT assay (Rvb = 51.19 +/- 0.95 microM) | B | 5 | pIC50 | 10100 | nM | IC50 | Eur J Med Chem (2019) 180: 350-366 [PMID:31325783] |
| ChEMBL | Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry | B | 5.01 | pIC50 | 9800 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| ChEMBL | TP_TRANSPORTER: transepithelial transport of fexofenadine in Caco-2 cells | F | 5.07 | pIC50 | 8440 | nM | IC50 | Pharm Res (2004) 21: 1398-1404 [PMID:15359574] |
| ChEMBL | Inhibition of P-glycoprotein by Hoechst assay | B | 5.18 | pIC50 | 6606.93 | nM | IC50 | Bioorg Med Chem (2007) 15: 7470-7479 [PMID:17890094] |
| ChEMBL | Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay | B | 5.18 | pIC50 | 6606.93 | nM | IC50 | Bioorg Med Chem (2008) 16: 2448-2462 [PMID:18083034] |
| ChEMBL | TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | F | 5.19 | pIC50 | 6500 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuring adriamycin IC50 after 48 hrs by MTT assay | B | 5.19 | pIC50 | 6470 | nM | IC50 | J Med Chem (2021) 64: 6179-6197 [PMID:33938746] |
| ChEMBL | Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5.2 | pIC50 | 6300 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | F | 5.2 | pIC50 | 6300 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 398.34 +/- 0.58 uM) | B | 5.21 | pIC50 | 6150 | nM | IC50 | Eur J Med Chem (2019) 161: 364-377 [PMID:30384042] |
| ChEMBL | Inhibition of Pgp by daunorubicin accumulation assay | B | 5.24 | pIC50 | 5800 | nM | IC50 | Bioorg Med Chem (2008) 16: 2448-2462 [PMID:18083034] |
| ChEMBL | Inhibition of Pgp by daunorubicin accumulation assay | B | 5.24 | pIC50 | 5754.4 | nM | IC50 | Bioorg Med Chem (2008) 16: 2448-2462 [PMID:18083034] |
| ChEMBL | Inhibition of P-gp in human A2780 cells | B | 5.27 | pIC50 | 5420 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4761-4763 [PMID:18707884] |
| ChEMBL | Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay | B | 5.28 | pIC50 | 5200 | nM | IC50 | Bioorg Med Chem (2009) 17: 2524-2535 [PMID:19250834] |
| ChEMBL | TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells | F | 5.32 | pIC50 | 4780 | nM | IC50 | Anticancer Drugs (2003) 14: 175-181 [PMID:12569305] |
| ChEMBL | TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | F | 5.33 | pIC50 | 4700 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | Inhibition of P-gp in doxorubicin-resistant human MCF7/ADR cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 incubated for 48 hrs by MTT assay (Rvb = doxorubicin alone = 64.8 +/- 2.1 uM) | B | 5.33 | pIC50 | 4700 | nM | IC50 | J Nat Prod (2019) 82: 724-734 [PMID:30860373] |
| ChEMBL | Reversal of P-gp mediated multidrug resistance in human HepG2/DOX cells assessed as doxorubicin IC50 at 5 uM measured within 48 hrs by MTT assay (Rvb = 69.3 +/- 3.9 uM) | B | 5.33 | pIC50 | 4700 | nM | IC50 | Eur J Med Chem (2019) 183: 111726-111726 [PMID:31585275] |
| ChEMBL | Inhibition of P-gp in human adriamycin-resistant A2780 cells by Hoechst 33342 assay | B | 5.34 | pIC50 | 4570.88 | nM | IC50 | Bioorg Med Chem (2008) 16: 8224-8236 [PMID:18678495] |
| ChEMBL | Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay | B | 5.34 | pIC50 | 4570.88 | nM | IC50 | Bioorg Med Chem (2008) 16: 2448-2462 [PMID:18083034] |
| ChEMBL | Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay | B | 5.34 | pIC50 | 4570.88 | nM | IC50 | Bioorg Med Chem (2007) 15: 7470-7479 [PMID:17890094] |
| ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | F | 5.38 | pIC50 | 4200 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
| ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin efflux (Daunorubicin: ? uM) in G185 cells | F | 5.38 | pIC50 | 4200 | nM | IC50 | Drug Metab Dispos (2001) 29: 1080-1083 [PMID:11454724] |
| ChEMBL | Reversal of P-gp mediated multidrug resistance in human MCF7/ADM cells assessed as doxorubicin IC50 at 10 uM measured within 48 hrs by MTT assay (Rvb = 151.7 +/- 5 uM) | B | 5.43 | pIC50 | 3700 | nM | IC50 | Eur J Med Chem (2019) 183: 111726-111726 [PMID:31585275] |
| ChEMBL | Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in the presence of 10 nM vincristine | F | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem Lett (1999) 9: 1541-1546 [PMID:10386932] |
| ChEMBL | Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as potentiation of DOX-induced cytotoxicity by measuring DOX IC50 at 1 uM incubated for 48 hrs by SRB assay (Rvb = 33.39 +/- 7.08 uM) | B | 5.53 | pIC50 | 2980 | nM | IC50 | J Med Chem (2020) 63: 5458-5476 [PMID:32329342] |
| ChEMBL | TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells | F | 5.66 | pIC50 | 2210 | nM | IC50 | Anticancer Drugs (2003) 14: 175-181 [PMID:12569305] |
| ChEMBL | Concentration required for 50% inhibition (racemic) at binding site of human P-Glycoprotein (P-gp) in one-affinity model | B | 5.68 | pIC50 | 2110 | nM | IC50 | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
| ChEMBL | TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells | F | 5.68 | pIC50 | 2100 | nM | IC50 | Drug Metab Dispos (2000) 28: 655-660 [PMID:10820137] |
| ChEMBL | Inhibition of P-gp-mediated multidrug resistance in doxorubicin-resistant human MCF7/ADR cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 incubated for 48 hrs by CCK-8 assay | B | 5.69 | pIC50 | 2025 | nM | IC50 | J Med Chem (2023) 66: 5550-5566 [PMID:37011035] |
| ChEMBL | Inhibition of P-glycoprotein 1 in human HeLa cells assessed as intracellular accumulation of Hoechst 33342 dye after 30 mins by fluorescence microscopic analysis | B | 5.77 | pIC50 | 1700 | nM | IC50 | Medchemcomm (2013) 4: 278-288 |
| ChEMBL | Inhibition of P-glycoprotein in human doxorubicin-resistant K562 cells assessed as half maximal increase of pirarubicin accumulation by spectrofluorometric analysis | B | 5.8 | pIC50 | 1600 | nM | IC50 | Bioorg Med Chem (2013) 21: 456-465 [PMID:23245571] |
| ChEMBL | Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity model | B | 5.83 | pIC50 | 1480 | nM | IC50 | J Med Chem (2002) 45: 5671-5686 [PMID:12477351] |
| ChEMBL | Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured after 30 mins by spectrofluorimetric method | B | 5.89 | pIC50 | 1300 | nM | IC50 | Eur J Med Chem (2019) 161: 433-444 [PMID:30384046] |
| ChEMBL | Reversal of P-gp mediated multidrug resistance in human HepG2/DOX cells assessed as doxorubicin IC50 at 10 uM measured within 48 hrs by MTT assay (Rvb = 69.3 +/- 3.9 uM) | B | 5.89 | pIC50 | 1300 | nM | IC50 | Eur J Med Chem (2019) 183: 111726-111726 [PMID:31585275] |
| ChEMBL | Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2020) 63: 2131-2138 [PMID:31505928] |
| ChEMBL | Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity by measuring doxorubicin IC50 at 2.5 uM after 48 hrs by MTT assay (Rvb = 4.9 microM) | B | 6.09 | pIC50 | 810 | nM | IC50 | J Nat Prod (2020) 83: 497-504 [PMID:31975579] |
| ChEMBL | Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM) | B | 6.13 | pIC50 | 740 | nM | IC50 | Eur J Med Chem (2014) 87: 398-412 [PMID:25282263] |
| ChEMBL | Inhibition of P-gp mediated doxorubicin resistance in human SW620/AD300 cells overexpressing P-gp in presence of doxorubicin measured after 52 hrs by MTT assay | B | 6.15 | pIC50 | 710 | nM | IC50 | J Nat Prod (2022) 85: 337-344 [PMID:35073486] |
| ChEMBL | Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 4736 +/- 59 nM) | B | 6.15 | pIC50 | 708 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at 2.5 uM after 48 hrs by MTT assay | B | 6.2 | pIC50 | 630 | nM | IC50 | J Med Chem (2022) 65: 2610-2622 [PMID:35067062] |
| ChEMBL | Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis | B | 6.24 | pIC50 | 575.44 | nM | IC50 | J Med Chem (2012) 55: 3261-3273 [PMID:22452412] |
| ChEMBL | Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 2264 +/- 196 nM) | B | 6.28 | pIC50 | 522 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (2012) 55: 424-436 [PMID:22112208] |
| ChEMBL | Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 823 +/- 16 nM) | B | 6.34 | pIC50 | 456 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 797 +/- 73 nM) | B | 6.39 | pIC50 | 412 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells | F | 6.4 | pIC50 | 400 | nM | IC50 | Biochem Biophys Res Commun (2004) 320: 672-679 [PMID:15240100] |
| ChEMBL | Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC | F | 6.4 | pIC50 | 400 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 4.23 +/- 0.6 uM) | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2020) 63: 15979-15996 [PMID:33280384] |
| ChEMBL | Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 2867 +/- 142 nM) | B | 6.71 | pIC50 | 195 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 242 +/- 5 nM) | B | 7.07 | pIC50 | 85.7 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 1762 +/- 63 nM) | B | 7.11 | pIC50 | 76.9 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 80 +/- 10 nM) | B | 7.12 | pIC50 | 76.4 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for paclitaxel at 1 uM after 5 days by CellTiter 96 Aqueous assay | B | 7.42 | pIC50 | 38 | nM | IC50 | J Med Chem (2015) 58: 4529-4549 [PMID:25985195] |
| ChEMBL | Inhibition of P-glycoprotein in human LCC6MDR cells assessed as reversal fold by measuring reduction in paclitaxel by measuring paclitaxel IC50 at 1 uM after 5 days by Cell Titer-Glo luminescence assay | B | 7.42 | pIC50 | 38 | nM | IC50 | Eur J Med Chem (2021) 226: 113795-113795 [PMID:34597896] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by MTT assay | B | 7.43 | pIC50 | 36.77 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 2.92 +/- 0.31 nM) | B | 7.46 | pIC50 | 35.02 | nM | IC50 | Eur J Med Chem (2019) 182: 111668-111668 [PMID:31505451] |
| ChEMBL | Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM) | B | 7.54 | pIC50 | 29 | nM | IC50 | Eur J Med Chem (2014) 87: 398-412 [PMID:25282263] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 1353.98 +/- 303.33 nM) | B | 7.55 | pIC50 | 28.16 | nM | IC50 | Eur J Med Chem (2019) 161: 118-130 [PMID:30347326] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM measured after 72 hrs by MTT assay | B | 7.64 | pIC50 | 23.08 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 352.31 +/- 10.9 nM) | B | 7.73 | pIC50 | 18.43 | nM | IC50 | Eur J Med Chem (2019) 182: 111668-111668 [PMID:31505451] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by MTT assay | B | 7.78 | pIC50 | 16.49 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 91.40 +/- 23.32 nM) | B | 7.98 | pIC50 | 10.37 | nM | IC50 | J Med Chem (2020) 63: 15979-15996 [PMID:33280384] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by MTT assay | B | 7.99 | pIC50 | 10.17 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 26.50 +/- 4.1 nM) | B | 8.05 | pIC50 | 8.9 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 11.8 +/- 1.13 nM) | B | 8.07 | pIC50 | 8.6 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM measured after 72 hrs by MTT assay | B | 8.07 | pIC50 | 8.51 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 1886.37 +/- 243.05 nM) | B | 8.15 | pIC50 | 7.05 | nM | IC50 | J Med Chem (2020) 63: 15979-15996 [PMID:33280384] |
| ChEMBL | Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 6 +/- 0.2 nM) | B | 8.17 | pIC50 | 6.7 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM measured after 72 hrs by MTT assay | B | 8.28 | pIC50 | 5.29 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM | B | 8.31 | pIC50 | 4.9 | nM | IC50 | Eur J Med Chem (2019) 161: 364-377 [PMID:30384042] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by MTT assay | B | 8.34 | pIC50 | 4.59 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 4.55 +/- 0.28 nM) | B | 8.41 | pIC50 | 3.87 | nM | IC50 | Eur J Med Chem (2020) 201: 112422-112422 [PMID:32569926] |
| ChEMBL | Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM measured after 72 hrs by MTT assay | B | 8.53 | pIC50 | 2.97 | nM | IC50 | Eur J Med Chem (2021) 211: 113107-113107 [PMID:33360797] |
| ChEMBL | Inhibition of P-glycoprotein (unknown origin) expressed in MDCK cells assessed as reduction of calcein-AM transport after 30 mins by fluorescence assay | B | 4.7 | pEC50 | 20000 | nM | EC50 | Eur J Med Chem (2014) 76: 558-566 [PMID:24607999] |
| ChEMBL | Inhibition of Pgp measured as inhibition of [3H]vinblastine basolateral to apical transport in Caco-2 cells | F | 4.7 | pEC50 | 20000 | nM | EC50 | J Med Chem (2006) 49: 6607-6613 [PMID:17064079] |
| ChEMBL | Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells | B | 4.7 | pEC50 | 20000 | nM | EC50 | J Med Chem (2008) 51: 1415-1422 [PMID:18257545] |
| ChEMBL | Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells | B | 4.7 | pEC50 | 20000 | nM | EC50 | Bioorg Med Chem (2008) 16: 362-373 [PMID:17936633] |
| ChEMBL | Inhibition of P-glycoprotein-mediated [3H]vinblastine transport in human Caco-2 cells | B | 4.7 | pEC50 | 20000 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 3741-3744 [PMID:18524592] |
| ChEMBL | Inhibition of P-gp in human MCF7/ADR cells assessed as reversal of multidrug resistance at 10 uM by measuring EC50 for adriamycin-induced cytotoxicity after 48 hrs by SRB colorimetric assay | B | 5.31 | pEC50 | 4890 | nM | EC50 | J Med Chem (2015) 58: 3720-3738 [PMID:25856545] |
| ChEMBL | TP_TRANSPORTER: reversal of Vinblastine accumulation (Vinblastine: 0.005 uM) in MDA435/LCC6 MDR1 cells | F | 5.51 | pEC50 | 3100 | nM | EC50 | J Med Chem (2002) 45: 390-398 [PMID:11784143] |
| ChEMBL | Inhibition of p-gp in human KB/VCR cells assessed as potentiation of 100 nM docetaxel-induced cytotoxicity after 72 hrs by MTT assay | B | 5.9 | pEC50 | 1253 | nM | EC50 | Bioorg Med Chem (2013) 21: 4279-4287 [PMID:23683834] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay | B | 5.98 | pEC50 | 1041 | nM | EC50 | Bioorg Med Chem (2007) 15: 3854-3868 [PMID:17399990] |
| ChEMBL | Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vinblastine resistance measured as cell survival after 5 days by MTS assay | B | 6.3 | pEC50 | 503 | nM | EC50 | J Med Chem (2015) 58: 4529-4549 [PMID:25985195] |
| ChEMBL | Inhibition of P-glycoprotein (unknown origin) in MDCK-MDR1 assessed as inhibtion of calcein-AM transport incubated for 30 mins by fluorescence assay | B | 6.3 | pEC50 | 500 | nM | EC50 | Eur J Med Chem (2019) 172: 71-94 [PMID:30947123] |
| ChEMBL | Inhibition of P-gp (unknown origin) expressed in MDCK-MDR1 cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye based fluorescence assay | B | 6.3 | pEC50 | 500 | nM | EC50 | Eur J Med Chem (2019) 182: 111655-111655 [PMID:31494468] |
| ChEMBL | Modulation of P-gp in human MDA435/LCC6MDR cells assessed as reversal of paclitaxel resistance | B | 6.35 | pEC50 | 446 | nM | EC50 | Bioorg Med Chem (2015) 23: 5566-5573 [PMID:26233798] |
| ChEMBL | Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival after 5 days by MTS assay | B | 6.35 | pEC50 | 446 | nM | EC50 | J Med Chem (2015) 58: 4529-4549 [PMID:25985195] |
| ChEMBL | Modulation of p-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversal of paclitaxel resistance | B | 6.35 | pEC50 | 445.7 | nM | EC50 | J Med Chem (2013) 56: 9057-9070 [PMID:24171478] |
| ChEMBL | Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vincristine resistance measured as cell survival after 5 days by MTS assay | B | 6.41 | pEC50 | 385 | nM | EC50 | J Med Chem (2015) 58: 4529-4549 [PMID:25985195] |
| ChEMBL | Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival after 5 days by MTS assay | B | 6.61 | pEC50 | 245 | nM | EC50 | J Med Chem (2015) 58: 4529-4549 [PMID:25985195] |
| ChEMBL | Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000. | F | 6.92 | pEC50 | 120 | nM | EC50 | J Med Chem (1998) 41: 4001-4011 [PMID:9767638] |
| P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1b-expressing LLC-PK1 cells | F | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
| ChEMBL | Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| ChEMBL | TP_TRANSPORTER: inhibition of Calcein-AM efflux in Mdr1a-expressing LLC-PK1 cells | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2003) 46: 1716-1725 [PMID:12699389] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Inhibition of chloroquine-resistant Plasmodium falciparum D10 CRT expressed in Xenopus laevis oocytes assessed as [3H]-chloroquine uptake after 1 to 2 hrs | B | 4.52 | pIC50 | 30000 | nM | IC50 | Eur J Med Chem (2011) 46: 1729-1742 [PMID:21396749] |
| ChEMBL | In vitro inhibitory activity against multidrug-resistant Plasmodium falciparum W2 Indochina | F | 4.87 | pIC50 | 13400 | nM | IC50 | J Med Chem (2002) 45: 3195-3209 [PMID:12109904] |
| ChEMBL | Antimicrobial activity against Plasmodium falciparum | F | 4.89 | pIC50 | 13000 | nM | IC50 | Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316] |
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-resistant transporter 106/1'76I mutant Plasmodium falciparum infected in human erythrocytes by SYBR green assay | F | 5.15 | pIC50 | 7074 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-resistant transporter 106/1'76T mutant Plasmodium falciparum infected human erythrocytes by SYBR green assay | F | 5.39 | pIC50 | 4053 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-resistant Plasmodium falciparum Dd2 infected human erythrocytes by SYBR green assay | F | 5.7 | pIC50 | 2000 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 infected human erythrocytes by SYBR green assay | F | 5.89 | pIC50 | 1300 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Concentration required to reduce chloroquine IC50 by 50% | F | 6.1 | pIC50 | 800 | nM | IC50 | J Med Chem (2002) 45: 3195-3209 [PMID:12109904] |
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-resistant transporter 106/1'76N mutant Plasmodium falciparum infected human erythrocytes by SYBR green assay | F | 6.19 | pIC50 | 653 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 5.76 | pKi | 1726 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 5.52 | pIC50 | 3020 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 6.9 | pKi | 126 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 6.35 | pIC50 | 442 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.98 | pKi | 105 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.78 | pIC50 | 165 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.81 | pKi | 155 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.53 | pIC50 | 297 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 6.9 | pKi | 127 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 6.62 | pIC50 | 240 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Nav1.5/Sodium channel protein type V alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA | F | 4.38 | pIC50 | 41500 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | F | 5.54 | pKi | 2900 | nM | Ki | J Pharmacol Exp Ther (1998) 286: 354-361 [PMID:9655880] |
| ChEMBL | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | B | 5.17 | pIC50 | 6800 | nM | IC50 | J Med Chem (2008) 51: 5932-5942 [PMID:18788725] |
| Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505] | ||||||||
| ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in guinea pig ventricular myocytes | F | 5.74 | pIC50 | 1800 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
| ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in guinea pig ventricular myocytes | F | 5.82 | pIC50 | 1500 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 6.03 | pIC50 | 940 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 6.1 | pIC50 | 790 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 6.22 | pIC50 | 600 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 6.79 | pIC50 | 164 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes | F | 7 | pIC50 | 100 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 7 | pIC50 | 100 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit | F | 4.3 | pIC50 | 50000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit | F | 4.33 | pIC50 | 47000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit | F | 4.62 | pIC50 | 24000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subunit | F | 4.63 | pIC50 | 23500 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of (-)-[3H]- D-888 binding to L-type calcium channels in kitten heart ventricle membranes | B | 6.82 | pIC50 | 150 | nM | IC50 | J Med Chem (1993) 36: 439-445 [PMID:8474099] |
| Voltage-gated L-type calcium channel alpha-1C subunit in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2830] [UniProtKB: P15381] | ||||||||
| ChEMBL | Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle. | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (1988) 31: 2221-2227 [PMID:3184128] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
| GtoPdb | - | - | 6.5 | pIC50 | - | - | - | Mol Pharmacol (1996) 50: 1388-400 [PMID:8913371] |
| GtoPdb | - | - | 6.5 | pIC50 | - | - | - | Mol Pharmacol (1996) 50: 1388-400 [PMID:8913371] |
| ChEMBL | Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate. | B | 7.41 | pIC50 | 39 | nM | IC50 | J Med Chem (1996) 39: 2922-2938 [PMID:8709127] |
| Cav1.1 in Rabbit [GtoPdb: 528] | ||||||||
| GtoPdb | - | - | 5 | pIC50 | ~10000 | nM | IC50 | J Pharmacol Exp Ther (1986) 236: 403-7 [PMID:2418195] |
| Cav1.1/Voltage-gated L-type calcium channel alpha-1S subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4108] [GtoPdb: 528] [UniProtKB: Q02485] | ||||||||
| ChEMBL | Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle | B | 7.24 | pKi | 58 | nM | Ki | J Med Chem (1996) 39: 4099-4108 [PMID:8831775] |
| Kv1.3/Voltage-gated potassium channel subunit Kv1.3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4633] [GtoPdb: 540] [UniProtKB: P22001] | ||||||||
| ChEMBL | Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method | B | 5.1 | pIC50 | 8000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 7106-7109 [PMID:23084278] |
| TPC1 in Human [GtoPdb: 392] [UniProtKB: Q9ULQ1] | ||||||||
| GtoPdb | - | - | 4.64 | pIC50 | 23000 | nM | IC50 | Nat Chem Biol (2014) 10: 463-9 [PMID:24776928] |
| TPC2 in Human [GtoPdb: 393] [UniProtKB: Q8NHX9] | ||||||||
| GtoPdb | - | - | 5 | pIC50 | 10000 | nM | IC50 | Cell (2012) 151: 372-83 [PMID:23063126] |
| Kir3.2 in Mouse [GtoPdb: 435] [UniProtKB: P48542] | ||||||||
| GtoPdb | - | - | 3.9 | pIC50 | - | - | - | Neuron (1996) 16: 941-52 [PMID:8630252] |
| Cav1.3 in Mouse [GtoPdb: 530] [UniProtKB: Q99246] | ||||||||
| GtoPdb | - | - | 3.7 | pIC50 | - | - | - | Eur J Pharmacol (2007) 573: 39-48 [PMID:17651721] |
| Kv1.7 in Human [GtoPdb: 544] [UniProtKB: Q96RP8] | ||||||||
| GtoPdb | - | - | 4.8 | pKd | - | - | - | Eur J Hum Genet (2002) 10: 36-43 [PMID:11896454] |
| Kv1.8 in Human [GtoPdb: 545] [UniProtKB: Q16322] | ||||||||
| GtoPdb | - | - | 4.3 | pIC50 | - | - | - | Am J Physiol Renal Physiol (2000) 278: F1013-21 [PMID:10836990] |
| Kv3.2 in Rat [GtoPdb: 549] [UniProtKB: P22462] | ||||||||
| GtoPdb | - | - | 4.9 | pEC50 | - | - | - | Neuropharmacology (2000) 39: 202-10 [PMID:10670415] |
| Navi2.1 in Human [GtoPdb: 750] [UniProtKB: Q8IZF0] | ||||||||
| GtoPdb | - | - | 3.4 | pIC50 | 380000 | nM | IC50 | |
| Plasma membrane monoamine transporter in Human [GtoPdb: 1120] [UniProtKB: Q7RTT9] | ||||||||
| GtoPdb | - | - | 4.73 | pKi | 18600 | nM | Ki |
Mol Pharmacol (2005) 68: 1397-407 [PMID:16099839]; Clin Pharmacol Ther (2016) 100: 489-499 [PMID:27506881] |
| CYP3A4 in Human [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| GtoPdb | Inhibition of testosterone 6β-hydroxylation. | - | 6.22 | pKi | 600 | nM | Ki | Br J Clin Pharmacol (2001) 51: 461-70 [PMID:11422004] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
