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 |
|---|---|---|---|---|---|---|---|---|
| CX3CR1/C-X3-C chemokine receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4843] [GtoPdb: 74] [UniProtKB: P49238] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: CX3CR1 | F | 5 | pIC50 | >10000 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| FPR3/N-formyl peptide receptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5646] [GtoPdb: 224] [UniProtKB: P25089] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: FPR3 | F | 5 | pIC50 | >10000 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| 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] |
| GPR65/Psychosine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3714081] [GtoPdb: 113] [UniProtKB: Q8IYL9] | ||||||||
| ChEMBL | GPCR PRESTO-Tango dose-response in antagonist mode with target: GPR65 | F | 5.62 | pIC50 | 2392.15 | nM | IC50 | EUbOPEN Chemogenomics Library - GPCR Dose-Respose |
| 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 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]
