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 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]
