atosiban [Ligand Id: 2213] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL382301 (Antocile, Antocin, Antocin ii, Atosiban, CAP-449, CAP-476, CAP-581, F-314, ORF 22164, ORF-22164, RW-22164, RWJ 22164, RWJ-22164, Tractocil, Tractocile) |
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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 | B | 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 | F | 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 | B | 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 | B | 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 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]
