retosiban [Ligand Id: 8403] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL429736 (GSK221149, GSK-221149, GSK221149A, GSK-221149A, Retosiban)
  • OT receptor/Oxytocin receptor in Human [ChEMBL: CHEMBL2049] [GtoPdb: 369] [UniProtKB: P30559]
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  • V1A receptor/Vasopressin V1a receptor in Human [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
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  • V1B receptor/Vasopressin V1b receptor in Human [ChEMBL: CHEMBL1921] [GtoPdb: 367] [UniProtKB: P47901]
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  • V2 receptor/Vasopressin V2 receptor in Human [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
OT receptor/Oxytocin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2049] [GtoPdb: 369] [UniProtKB: P30559]
ChEMBL Binding affinity to recombinant oxytocin receptor B 8.39 pKi 4.1 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
ChEMBL Binding affinity to human oxytocin receptor B 9 pKi 1 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
ChEMBL Binding affinity to human oxytocin receptor B 9.19 pKi 0.65 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
GtoPdb - - 9.19 pKi 0.65 nM Ki Am J Physiol Regul Integr Comp Physiol (2007) 293: R299-305 [PMID:17395790];
Bioorg Med Chem Lett (2008) 18: 90-4 [PMID:18032036]
ChEMBL Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissue B 9.2 pKi 0.63 nM Ki J. Med. Chem. (2010) 53: 6525-6538 [PMID:20550119]
V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
ChEMBL Binding affinity to human vasopressin V1a receptor B 4.92 pKi >12000 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
V1B receptor/Vasopressin V1b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1921] [GtoPdb: 367] [UniProtKB: P47901]
ChEMBL Binding affinity to human vasopressin V1b receptor B 5 pKi >10000 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
V2 receptor/Vasopressin V2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518]
ChEMBL Binding affinity to human vasopressin V2 receptor B 6.02 pKi 950 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]