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 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]
