atosiban [Ligand Id: 2213] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL382301 (CAP-449, CAP-581, Atosiban, F-314, RW-22164, RWJ-22164, Tractocile, ORF-22164, CAP-476)
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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 oxytocin receptor B 6.4 pKi 397 nM Ki Bioorg. Med. Chem. Lett. (2009) 19: 990-994 [PMID:19095447]
ChEMBL Displacement of [3H]oxytocin from human OTR B 7.4 pKi 39.81 nM Ki J. Med. Chem. (2006) 49: 4159-4170 [PMID:16821776]
ChEMBL Binding affinity to recombinant oxytocin receptor B 7.49 pKi 32 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
ChEMBL Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells F 7.57 pKi 27 nM Ki J. Med. Chem. (2005) 48: 7882-7905 [PMID:16302826]
GtoPdb - - 7.6 pKi - - - Br J Obstet Gynaecol (1999) 106: 1047-53 [PMID:10519430];
J. Pharmacol. Exp. Ther. (2003) 306: 253-61 [PMID:12660315];
J Pharmacol Exp Therap (2004) 309: 414-424 [PMID:14722330];
J. Pept. Sci. (2005) 11: 593-608 [PMID:15880385];
Life Sci. (1995) 57: 2253-61 [PMID:7475979]
ChEMBL Binding affinity to human oxytocin receptor B 7.96 pKi 11 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]
ChEMBL Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay F 6.43 pIC50 372 nM IC50 Eur J Med Chem (2017) 136: 330-333 [PMID:28505537]
ChEMBL Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells B 7.23 pIC50 59 nM IC50 J. Med. Chem. (2005) 48: 7882-7905 [PMID:16302826]
OT receptor/Oxytocin receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3996] [GtoPdb: 369] [UniProtKB: P70536]
ChEMBL Antagonist activity in rat uterus by uterotonic assay F 8.29 pKd 5.13 nM Kd Eur. J. Med. Chem. (2007) 42: 799-806 [PMID:17316912]
GtoPdb - - 7.1 pKi - - - J. Pharmacol. Exp. Ther. (2003) 306: 253-61 [PMID:12660315]
ChEMBL Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells F 7.12 pKi 76 nM Ki J. Med. Chem. (2005) 48: 7882-7905 [PMID:16302826]
ChEMBL Displacement of [3H]oxytocin from rat OTR B 7.4 pKi 39.81 nM Ki J. Med. Chem. (2006) 49: 4159-4170 [PMID:16821776]
ChEMBL Antagonism of OT-induced response at OT receptor in rat uterine strips F 7.92 pIC50 12 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 954-959 [PMID:16297621]
V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288]
ChEMBL Binding affinity to vasopressin V1a receptor B 8.33 pKi 4.7 nM Ki Bioorg. Med. Chem. Lett. (2009) 19: 990-994 [PMID:19095447]
GtoPdb - - 8.5 pKi - - - Br J Obstet Gynaecol (1999) 106: 1047-53 [PMID:10519430];
J. Pharmacol. Exp. Ther. (2003) 306: 253-61 [PMID:12660315];
J Pharmacol Exp Therap (2004) 309: 414-424 [PMID:14722330];
J. Pept. Sci. (2005) 11: 593-608 [PMID:15880385]
ChEMBL Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells F 9.2 pKi 0.63 nM Ki J. Med. Chem. (2005) 48: 7882-7905 [PMID:16302826]
ChEMBL Binding affinity to human vasopressin V1a receptor B 9.82 pKi 0.15 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]
GtoPdb - - 6.6 pKi - - - J. Pharmacol. Exp. Ther. (2003) 306: 253-61 [PMID:12660315];
J Pharmacol Exp Therap (2004) 309: 414-424 [PMID:14722330]
ChEMBL Binding affinity to human vasopressin V1b receptor B 7.36 pKi 44 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]
GtoPdb - - 6 pKi - - - J. Pharmacol. Exp. Ther. (2003) 306: 253-61 [PMID:12660315];
J Pharmacol Exp Therap (2004) 309: 414-424 [PMID:14722330]
ChEMBL Binding affinity to human vasopressin V2 receptor B 6.48 pKi 330 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 90-94 [PMID:18032036]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]