Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418906' 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)) | BDBM50418906
(CHEMBL1807266)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(27.65,-6.84,;26.29,-6.06,;26.29,-4.5,;24.95,-6.85,;23.62,-6.09,;22.29,-6.86,;22.31,-8.38,;23.63,-9.15,;24.95,-8.38,;20.99,-9.16,;19.66,-8.4,;19.65,-6.86,;18.32,-9.17,;18.33,-10.71,;17,-11.49,;15.66,-10.72,;14.33,-11.49,;14.34,-13.03,;13.01,-13.81,;15.68,-13.8,;17.01,-13.02,;16.99,-8.41,;16.98,-6.87,;18.31,-6.09,;15.64,-6.1,;14.31,-6.88,;12.97,-6.11,;11.65,-6.88,;11.64,-8.43,;10.31,-9.19,;12.98,-9.2,;14.32,-8.43,)| Show InChI InChI=1S/C25H31Cl2N3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 4622-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.092 BindingDB Entry DOI: 10.7270/Q20866KR |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418906
(CHEMBL1807266)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(27.65,-6.84,;26.29,-6.06,;26.29,-4.5,;24.95,-6.85,;23.62,-6.09,;22.29,-6.86,;22.31,-8.38,;23.63,-9.15,;24.95,-8.38,;20.99,-9.16,;19.66,-8.4,;19.65,-6.86,;18.32,-9.17,;18.33,-10.71,;17,-11.49,;15.66,-10.72,;14.33,-11.49,;14.34,-13.03,;13.01,-13.81,;15.68,-13.8,;17.01,-13.02,;16.99,-8.41,;16.98,-6.87,;18.31,-6.09,;15.64,-6.1,;14.31,-6.88,;12.97,-6.11,;11.65,-6.88,;11.64,-8.43,;10.31,-9.19,;12.98,-9.2,;14.32,-8.43,)| Show InChI InChI=1S/C25H31Cl2N3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 4622-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.092 BindingDB Entry DOI: 10.7270/Q20866KR |
More data for this Ligand-Target Pair | |