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 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]
