Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50350852' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50350852
(CHEMBL1817706)Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-4-17-50-18-9-13-28(39(63)51-22-36(49)61)52-43(67)33-14-10-19-58(33)45(69)32-24-71-70-23-27(46)38(62)54-30(20-26-11-7-6-8-12-26)42(66)57-37(25(3)5-2)44(68)53-29(15-16-34(47)59)40(64)55-31(21-35(48)60)41(65)56-32/h6-8,11-12,25,27-33,37,50H,4-5,9-10,13-24,46H2,1-3H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50350852
(CHEMBL1817706)Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-4-17-50-18-9-13-28(39(63)51-22-36(49)61)52-43(67)33-14-10-19-58(33)45(69)32-24-71-70-23-27(46)38(62)54-30(20-26-11-7-6-8-12-26)42(66)57-37(25(3)5-2)44(68)53-29(15-16-34(47)59)40(64)55-31(21-35(48)60)41(65)56-32/h6-8,11-12,25,27-33,37,50H,4-5,9-10,13-24,46H2,1-3H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.105 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant rat vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this Ligand-Target Pair | |