BQ123 [Ligand Id: 997] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL314691
  • ABCC2/Canalicular multispecific organic anion transporter 1 in Rat [ChEMBL: CHEMBL2073676] [GtoPdb: 780] [UniProtKB: Q63120]
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  • ETA receptor/Endothelin receptor ET-A in Human [ChEMBL: CHEMBL252] [GtoPdb: 219] [UniProtKB: P25101]
  • Endothelin receptor ET-A in Pig [ChEMBL: CHEMBL4130] [UniProtKB: Q29010]
  • ETA receptor/Endothelin receptor ET-A in Rat [ChEMBL: CHEMBL4566] [GtoPdb: 219] [UniProtKB: P26684]
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  • ETB receptor/Endothelin receptor ET-B in Human [ChEMBL: CHEMBL1785] [GtoPdb: 220] [UniProtKB: P24530]
  • Endothelin receptor ET-B in Pig [ChEMBL: CHEMBL3949] [UniProtKB: P35463]
  • ETB receptor/Endothelin receptor ET-B in Rat [ChEMBL: CHEMBL4631] [GtoPdb: 220] [UniProtKB: P21451]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ABCC2/Canalicular multispecific organic anion transporter 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073676] [GtoPdb: 780] [UniProtKB: Q63120]
ChEMBL TP_TRANSPORTER: inhibition of BQ-485 uptake in bile canalicular membrane vesicles from SD rat F 4.08 pKi 84100 nM Ki J Pharmacol Exp Ther (1999) 288: 575-581 [PMID:9918561]
ETA receptor/Endothelin receptor ET-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL252] [GtoPdb: 219] [UniProtKB: P25101]
ChEMBL Affinity against ET A receptor B 7.74 pKi 18 nM Ki Bioorg Med Chem Lett (1995) 5: 253-258
ChEMBL Antagonist activity at Homo sapiens (human) ETA receptor B 7.43 pIC50 37 nM IC50 Med Chem Res (2013) 22: 5472-5480
ChEMBL Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer B 7.61 pIC50 24.8 nM IC50 Bioorg Med Chem Lett (2010) 20: 6840-6844 [PMID:20932745]
ChEMBL Displacement of [125I]ET-1 from Endothelin A receptor B 7.66 pIC50 22 nM IC50 J Med Chem (2004) 47: 1969-1986 [PMID:15055997]
ChEMBL Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis B 7.69 pIC50 20.5 nM IC50 J Med Chem (2012) 55: 7849-7861 [PMID:22862294]
ChEMBL Antagonist activity at ETA receptor in human SKNMC cells assessed as inhibition of endothelin-1-mediated Ca2+ mobilization by fura-2/AM dye-based spectrofluorimetric method F 9.21 pIC50 0.62 nM IC50 Eur J Med Chem (2016) 121: 658-670 [PMID:27318985]
GtoPdb - - 7.4 pA2 - - Ki Br J Pharmacol (1995) 115: 191-7 [PMID:7647976]
Endothelin receptor ET-A in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4130] [UniProtKB: Q29010]
ChEMBL Compound was evaluated for the binding affinity to Endothelin A receptor in the porcine aortic smooth muscle B 4.66 pIC50 22000 nM IC50 J Med Chem (1992) 35: 1493-1508 [PMID:1315867]
ChEMBL Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle membranes. B 7.66 pIC50 22 nM IC50 Bioorg Med Chem Lett (1995) 5: 1483-1488
ETA receptor/Endothelin receptor ET-A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4566] [GtoPdb: 219] [UniProtKB: P26684]
ChEMBL Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor B 7.4 pKi 40 nM Ki J Med Chem (1998) 41: 5198-5218 [PMID:9857090]
ChEMBL Displacement of [125I]ET-1 from ETA receptor in Sprague-Dawley Rattus norvegicus (rat) myocardium after 1 hr B 7.55 pIC50 28 nM IC50 Med Chem Res (2013) 22: 5472-5480
ChEMBL In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor. B 7.85 pIC50 14 nM IC50 J Med Chem (1998) 41: 2732-2744 [PMID:9667964]
ETB receptor/Endothelin receptor ET-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1785] [GtoPdb: 220] [UniProtKB: P24530]
ChEMBL Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis B 6 pIC50 >1000 nM IC50 J Med Chem (2012) 55: 7849-7861 [PMID:22862294]
Endothelin receptor ET-B in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3949] [UniProtKB: P35463]
ChEMBL Compound was evaluated for the binding affinity to Endothelin B receptor in the porcine cerebellum. B 4.64 pIC50 23000 nM IC50 J Med Chem (1992) 35: 1493-1508 [PMID:1315867]
ChEMBL Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes B 4.74 pIC50 18000 nM IC50 Bioorg Med Chem Lett (1995) 5: 1483-1488
ETB receptor/Endothelin receptor ET-B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4631] [GtoPdb: 220] [UniProtKB: P21451]
ChEMBL Ability to inhibit binding of [125I]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor) B 4.49 pKi 32000 nM Ki J Med Chem (1998) 41: 5198-5218 [PMID:9857090]
ChEMBL Affinity against ET B receptor B 5.15 pKi 7000 nM Ki Bioorg Med Chem Lett (1995) 5: 253-258
ChEMBL In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor. B 4.52 pIC50 >30000 nM IC50 J Med Chem (1998) 41: 2732-2744 [PMID:9667964]

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]