LIT-001 [Ligand Id: 10444] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4204210 |
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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 DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay | B | 6.65 | pKi | 226 | nM | Ki | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| GtoPdb | Binding affinity determined by a TR-FRET binding assay on HEK cells expressing SNAP-tagged OT receptors using 20 nM fluorescent DY647 and increasing concentration of competitor. | - | 6.65 | pKi | 226 | nM | Ki | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay | F | 7.21 | pEC50 | 62 | nM | EC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay | F | 7.26 | pEC50 | 55 | nM | EC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay | F | 7.6 | pEC50 | 25 | nM | EC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| OT receptor/Oxytocin receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3243907] [GtoPdb: 369] [UniProtKB: P97926] | ||||||||
| ChEMBL | Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay | F | 7.74 | pEC50 | 18 | nM | EC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288] | ||||||||
| GtoPdb | Binding affinity determined by a TR-FRET binding assay on HEK cells expressing SNAP-tagged V1a receptors using 20 nM fluorescent DY647 and increasing concentration of competitor. | - | 5.9 | pKi | 1253 | nM | Ki | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Displacement of DY647 from SNAP-tagged V1A receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay | B | 5.9 | pKi | 1253 | nM | Ki | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Antagonist activity at human V1a receptor expressed in HEK293FT cells assessed as inhibition of AVP-induced calcium release by Aequorin based assay | F | 5.23 | pIC50 | 5900 | nM | IC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Antagonist activity at human V1a receptor expressed in HEK293FT cells assessed as inhibition of AVP-induced response incubated for 30 mins by beta-arrestin recruitment assay | F | 5.66 | pIC50 | 2200 | nM | IC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Antagonist activity at human V1A receptor expressed in HEK cells assessed as inhibition of AVP-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay relative to AVP | F | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| V2 receptor/Vasopressin V2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1790] [GtoPdb: 368] [UniProtKB: P30518] | ||||||||
| ChEMBL | Displacement of DY647 from SNAP-tagged V2 receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay | B | 5.78 | pKi | 1666 | nM | Ki | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| GtoPdb | Binding affinity determined by a TR-FRET binding assay on HEK cells expressing SNAP-tagged V2 receptors using 20 nM fluorescent DY647 and increasing concentration of competitor. | - | 5.78 | pKi | 1666 | nM | Ki | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Agonist activity at human V2 receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay | F | 6.18 | pEC50 | 660 | nM | EC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
| ChEMBL | Agonist activity at human V2 receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay | F | 7.39 | pEC50 | 41 | nM | EC50 | J Med Chem (2018) 61: 8670-8692 [PMID:30199637] |
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]
