encequidar [Ligand Id: 12787] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4594298 (Encequidar, HM-30181, HM30181, HM30181AK, Pgp inhibitor hm30181ak) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of sulfasalazine-stimulated BCRP ATP ase activity (unknown origin) | B | 5.43 | pIC50 | >3717 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ABCC2/Canalicular multispecific organic anion transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5748] [GtoPdb: 780] [UniProtKB: Q92887] | ||||||||
| ChEMBL | Inhibition of sulfasalazine-stimulated MRP2 ATPase activity (unknown origin) in presence of GSH | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ABCC3/Canalicular multispecific organic anion transporter 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5918] [GtoPdb: 781] [UniProtKB: O15438] | ||||||||
| ChEMBL | Inhibition of benzmarone-stimulated MRP3 ATPase activity (unknown origin) in presence of GSH | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| ChEMBL | Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measured after 20 mins | B | 5.05 | pIC50 | >9000 | nM | IC50 | J Med Chem (2022) 65: 191-216 [PMID:34928144] |
| ABCC1/Multidrug resistance-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527] | ||||||||
| ChEMBL | Inhibition of NEM-GS-stimulated MRP1 ATPase activity (unknown origin) in presence of GSH | B | 4.56 | pIC50 | >27233 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Inhibition of P-gp in human Caco-2 cells assessed as reduction in paclitaxel efflux pre-incubated for 30 mins and measured after 120 mins by LC-MS/MS analysis | B | 7.28 | pIC50 | 53 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| GtoPdb | Inhibition of P-gp-mediated paclitaxel efflux from Caco-2 cells | - | 7.28 | pIC50 | 53 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ChEMBL | Reversal of P-gp-mediated multidrug resistance in human KB/VCR cells assessed as potentiation of vincristine-induced antiproliferative activity by measuring vincristine IC50 at 2 uM measured after 72 hrs by CCK8 assay (Rvb = 0.51 uM) | B | 7.8 | pIC50 | 16 | nM | IC50 | J Nat Prod (2021) 84: 588-600 [PMID:33683135] |
| ChEMBL | Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assay | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2022) 65: 191-216 [PMID:34928144] |
| ChEMBL | Inhibition of paclitaxel stimulated- P-gp ATPase activity (unknown origin) | B | 9.22 | pIC50 | 0.6 | nM | IC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ChEMBL | Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as cell growth inhibition after 3 days in presence of 200 nM paclitaxel by MTT assay | B | 7.89 | pEC50 | 13 | nM | EC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ChEMBL | Inhibition of P-gp (unknown origin) expressed in MCF7 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring reduction in paclitaxel EC50 at 50 nM incubated for 72 hrs in presence of paclitaxel by SRB assay (Rvb = 11.5 nM) | B | 8.1 | pEC50 | 7.9 | nM | EC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
| ChEMBL | Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring reduction in paclitaxel EC50 at 50 nM incubated for 72 hrs in presence of paclitaxel by SRB assay (Rvb = 294.6 nM) | B | 8.31 | pEC50 | 4.9 | nM | EC50 | J Med Chem (2021) 64: 3677-3693 [PMID:33729781] |
ChEMBL data shown on this page come from version 33:
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]
