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ChEMBL ligand: CHEMBL428647 (ABI-007, ABI-007 COMPONENT PACLITAXEL, Abraxane, BMS 181339-01, BMS-181339-01, Capxol, Cyclopax, DHP 107, DHP-107, Ebetaxel, Empac, Endotag 1, Genaxol, Genetaxyl, Genexol, Genexol-pm, Intaxel, Lep-etu, MBT 0206, MBT-0206, Mitotax, NK 105, NK-105, NSC-125973, Oncogel, Onxal, Onxol, Pacitaxel, Pacliex, (-)-paclitaxel, Paclitaxel, Paclitaxel (taxus canadensis), Paclitaxol, Paxene, Plaxicel, QW-8184, Taxalbin, Taxol, Taxol 100, Taxol a, Taxus, Taxus liberte, Taxus stent, Tocosol paclitaxel, Yewtaxan) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Beta tubulin in Leishmania donovani (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3186] [UniProtKB: Q25270] | ||||||||
ChEMBL | Compound was tested for inhibition of tubulin polymerisation in the absence of GTP | F | 6 | pIC50 | <1000 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 6075-6078 [PMID:15546733] |
ABCB11/Bile salt export pump in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6020] [GtoPdb: 778] [UniProtKB: O95342] | ||||||||
ChEMBL | TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP) | F | 4.54 | pIC50 | 28900 | nM | IC50 | Pharm Res (2003) 20: 537-544 [PMID:12739759] |
ChEMBL | TP_TRANSPORTER: increase in bodipy intracellular accumulation (Bodipy: 0.2 uM) in SK-E2 cells (expressing BSEP) | F | 4.57 | pIC50 | 26800 | nM | IC50 | Pharm Res (2003) 20: 537-544 [PMID:12739759] |
Botulinum neurotoxin type A in Clostridium botulinum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5192] [UniProtKB: P0DPI0] | ||||||||
ChEMBL | Inhibition of Clostridium botulinum recombinant neurotoxin A light chain using SNAPtide as substrate after 1 hr by FRET assay | B | 5.28 | pIC50 | 5200 | nM | IC50 | J Med Chem (2013) 56: 2791-2803 [PMID:23484537] |
CCK1 receptor/Cholecystokinin A receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1901] [GtoPdb: 76] [UniProtKB: P32238] | ||||||||
ChEMBL | DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) | B | 5.64 | pKi | 2276 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) | B | 4.94 | pIC50 | 11380 | nM | IC50 | DrugMatrix in vitro pharmacology data |
δ receptor/Delta opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL236] [GtoPdb: 317] [UniProtKB: P41143] | ||||||||
ChEMBL | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | B | 5.83 | pKi | 1481 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) | B | 5.38 | pIC50 | 4202 | nM | IC50 | DrugMatrix in vitro pharmacology data |
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
ChEMBL | Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2014) 57: 4598-4605 [PMID:24801610] |
fibroblast growth factor receptor 1/Fibroblast growth factor receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3650] [GtoPdb: 1808] [UniProtKB: P11362] | ||||||||
ChEMBL | Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2014) 57: 4598-4605 [PMID:24801610] |
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6] | ||||||||
ChEMBL | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis | B | 4.25 | pIC50 | 56000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604] | ||||||||
ChEMBL | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084] |
integrin, beta 3 subunit (platelet glycoprotein IIIa, antigen CD61)/integrin, alpha V subunit/Integrin alpha-V/beta-3 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907598] [GtoPdb: 2457, 2453] [UniProtKB: P05106, P06756] | ||||||||
ChEMBL | Inhibition of human metastatic breast cancer (MDA-MB-435) cell proliferation | F | 7.47 | pIC50 | 34 | nM | IC50 | J Med Chem (2005) 48: 1098-1106 [PMID:15715477] |
MC5 receptor/Melanocortin receptor 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4608] [GtoPdb: 286] [UniProtKB: P33032] | ||||||||
ChEMBL | DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) | B | 4.79 | pKi | 16072 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) | B | 4.77 | pIC50 | 17133 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452] | ||||||||
ChEMBL | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | B | 5.69 | pKi | 2042 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) | B | 5.21 | pIC50 | 6125 | nM | IC50 | DrugMatrix in vitro pharmacology data |
NS3 in Hepatitis C virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293269] [UniProtKB: A3EZJ3] | ||||||||
ChEMBL | Inhibitory concentration against hepatitis C virus helicase | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2005) 48: 1-20 [PMID:15633995] |
nucleotide binding oligomerization domain containing 2/Nucleotide-binding oligomerization domain-containing protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293266] [GtoPdb: 1763] [UniProtKB: Q9HC29] | ||||||||
ChEMBL | Inhibition of MDP-induced human NOD2 signaling expressed in HEK-Blue cells preincubated for 3 hrs followed by MDP-stimulation for 20 hrs by spectrophotometry based SEAP reporter gene assay | B | 5.1 | pIC50 | 7943.28 | nM | IC50 | J Med Chem (2017) 60: 1219-1224 [PMID:28075581] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells | F | 4.15 | pIC50 | 70200 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | F | 4.27 | pIC50 | 54000 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | F | 4.27 | pIC50 | 53900 | nM | IC50 | Biochem Biophys Res Commun (2001) 289: 580-585 [PMID:11716514] |
ChEMBL | Inhibition of p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assay | B | 5.59 | pIC50 | 2600 | nM | IC50 | J Med Chem (2013) 56: 6829-6844 [PMID:23895532] |
ChEMBL | Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay | B | 5.59 | pIC50 | 2596 | nM | IC50 | Bioorg Med Chem (2013) 21: 891-902 [PMID:23332369] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 5.8 | pIC50 | 1584.89 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 6.6 | pIC50 | 251.19 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 6.6 | pIC50 | 251.19 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 6.8 | pIC50 | 158.49 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay | F | 6.8 | pIC50 | 158.49 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 7.1 | pIC50 | 79.43 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 7.2 | pIC50 | 63.1 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum FCR-3/Gambia assessed as [3H]hypoxanthine incorporation after 72 hrs | F | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1219-1222 [PMID:29519737] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 8.75 | pIC50 | 1.78 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 9.6 | pIC50 | 0.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | F | 9.64 | pIC50 | 0.23 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | F | 9.82 | pIC50 | 0.15 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay | F | 9.82 | pIC50 | 0.15 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 10.05 | pIC50 | 0.09 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 10.15 | pIC50 | 0.07 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
MER proto-oncogene, tyrosine kinase/Proto-oncogene tyrosine-protein kinase MER in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5331] [GtoPdb: 1837] [UniProtKB: Q12866] | ||||||||
ChEMBL | Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method | B | 5.31 | pIC50 | 4900 | nM | IC50 | Bioorg Med Chem (2016) 24: 3083-3092 [PMID:27238842] |
erb-b2 receptor tyrosine kinase 2/Receptor protein-tyrosine kinase erbB-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626] | ||||||||
ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 4.95 | pIC50 | 11108 | nM | IC50 | DrugMatrix in vitro pharmacology data |
tubulin beta class I/tubulin alpha 4a/tubulin beta 4B class IVb/tubulin beta 3 class III/tubulin beta 8 class VIII/tubulin alpha 1a/Tubulin in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2095182] [GtoPdb: 2640, 2639, 2641, 2752, 2753, 2638] [UniProtKB: P04350, P07437, P0DPH7, P68363, P68366, P68371, Q13509, Q13885, Q3ZCM7, Q6PEY2, Q71U36, Q9BQE3, Q9BUF5, Q9BVA1, Q9H4B7] | ||||||||
ChEMBL | Activation of tubulin (unknown origin) polymerization | B | 5.91 | pEC50 | 1230 | nM | EC50 | J Med Chem (2013) 56: 685-699 [PMID:23356786] |
ChEMBL | Effect on induction of mitotic arrest by phosphohistone H3 (pH3) assay | F | 7.51 | pEC50 | 31 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 686-690 [PMID:16257201] |
GtoPdb | - | - | 8.05 | pEC50 | 9 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 1191-6 [PMID:16377187] |
Tubulin in Bovine (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111464] [UniProtKB: Q6B856, Q862F3] | ||||||||
ChEMBL | Effective concentration for enhancement of tubulin assembly rate was determined | F | 6.08 | pEC50 | 830 | nM | EC50 | J Med Chem (2000) 43: 2419-2429 [PMID:10882369] |
tubulin beta 3 class III/Tubulin beta-3 chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2597] [GtoPdb: 2752] [UniProtKB: Q13509] | ||||||||
ChEMBL | Inhibition of beta-3 tubulin (unknown origin) transfected in human HeLa cells assessed as growth inhibition after 48 hrs by SRB assay | B | 8.04 | pIC50 | 9.2 | nM | IC50 | Bioorg Med Chem (2013) 21: 891-902 [PMID:23332369] |
ChEMBL | Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay | B | 8.11 | pIC50 | 7.7 | nM | IC50 | J Med Chem (2013) 56: 6829-6844 [PMID:23895532] |
ChEMBL | Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by SRB method | B | 8.11 | pIC50 | 7.7 | nM | IC50 | Bioorg Med Chem (2021) 29: 115887-115887 [PMID:33310545] |
ABL proto-oncogene 1, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1862] [GtoPdb: 1923] [UniProtKB: P00519] | ||||||||
ChEMBL | Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2014) 57: 4598-4605 [PMID:24801610] |
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241] | ||||||||
ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 4.62 | pIC50 | 23906 | nM | IC50 | DrugMatrix in vitro pharmacology data |
SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931] | ||||||||
ChEMBL | Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2014) 57: 4598-4605 [PMID:24801610] |
Pregnane X receptor in Human [GtoPdb: 606] [UniProtKB: O75469] | ||||||||
GtoPdb | - | - | 5.3 | pEC50 | - | - | - | Nat Med (2001) 7: 584-90 [PMID:11329060] |
ChEMBL data shown on this page come from version 32:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]