nelivaptan [Ligand Id: 2202] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL582857 (Nelivaptan, SR-149415, Ssr149415, SSR-149,415, SSR-149415, SSR149415) |
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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 | Displacement of radiolabeled oxytocin from human oxytocin receptor expressed in CHO cells by scintillation counting | B | 7.6 | pKi | 25 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 3828-3831 [PMID:21605973] |
| ChEMBL | Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter | B | 7.72 | pKi | 19 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6018-6022 [PMID:19800231] |
| ChEMBL | Displacement of [3H]oxytocin from human oxytocin receptor | B | 7.72 | pKi | 19 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1871-1875 [PMID:21353540] |
| GtoPdb | - | - | 8.8 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 300: 1122-1130 [PMID:11861823]; Br J Pharmacol (2005) 146: 744-751 [PMID:16158071] |
| ChEMBL | Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by Fluo4-AM staining | F | 8.82 | pKi | 1.51 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 92-96 [PMID:21146408] |
| V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288] | ||||||||
| GtoPdb | - | - | 7 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 300: 1122-1130 [PMID:11861823] |
| ChEMBL | Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells by scintillation counting | B | 7.03 | pKi | 94 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 3828-3831 [PMID:21605973] |
| ChEMBL | Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by Fluo4-AM staining | F | 7.23 | pKi | 58.88 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 92-96 [PMID:21146408] |
| ChEMBL | Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter | B | 7.66 | pKi | 22 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6018-6022 [PMID:19800231] |
| ChEMBL | Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM | B | 7.66 | pKi | 22 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1871-1875 [PMID:21353540] |
| V1B receptor/Vasopressin V1b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1921] [GtoPdb: 367] [UniProtKB: P47901] | ||||||||
| ChEMBL | Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by Fluo4-AM staining | F | 7.23 | pKi | 58.88 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 92-96 [PMID:21146408] |
| ChEMBL | Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting | B | 8.77 | pKi | 1.7 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 3828-3831 [PMID:21605973] |
| ChEMBL | Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6018-6022 [PMID:19800231] |
| ChEMBL | Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1871-1875 [PMID:21353540] |
| GtoPdb | - | - | 9.3 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 300: 1122-1130 [PMID:11861823]; Br J Pharmacol (2005) 146: 744-751 [PMID:16158071] |
| V1B receptor/Vasopressin V1b receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2659] [GtoPdb: 367] [UniProtKB: P48974] | ||||||||
| ChEMBL | Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6018-6022 [PMID:19800231] |
| ChEMBL | Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1871-1875 [PMID:21353540] |
| V2 receptor/Vasopressin V2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518] | ||||||||
| GtoPdb | - | - | 5.9 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 300: 1122-1130 [PMID:11861823] |
| ChEMBL | Displacement of [3H]Arg8-vasopressin from human vasopressin V2 receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter | B | 6.49 | pKi | 325 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6018-6022 [PMID:19800231] |
| ChEMBL | Displacement of [3H]AVP from human vasopressin V2 receptor | B | 6.49 | pKi | 325 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 1871-1875 [PMID:21353540] |
| ChEMBL | Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells by scintillation counting | B | 6.54 | pKi | 290 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 3828-3831 [PMID:21605973] |
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]
