Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418923' 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)) | BDBM50418923
(CHEMBL1807280)Show SMILES O[C@H]1CC[C@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,wU:10.20,wD:4.7,1.0,(26.16,4.03,;24.81,3.24,;23.48,4,;22.15,3.23,;22.17,1.71,;23.49,.94,;24.81,1.71,;20.85,.94,;19.51,1.7,;19.5,3.24,;18.18,.93,;18.18,-.62,;16.85,-1.39,;15.52,-.62,;14.19,-1.4,;14.19,-2.94,;12.86,-3.71,;15.54,-3.71,;16.87,-2.93,;16.84,1.69,;16.84,3.23,;18.16,4.01,;15.5,4,;14.17,3.22,;12.83,3.98,;11.5,3.21,;11.5,1.67,;10.17,.9,;12.83,.9,;14.17,1.67,)| Show InChI InChI=1S/C23H26Cl2N2O3/c24-17-5-1-15(2-6-17)13-21(23(30)26-19-9-11-20(28)12-10-19)27-22(29)14-16-3-7-18(25)8-4-16/h1-8,19-21,28H,9-14H2,(H,26,30)(H,27,29)/t19-,20+,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.78 | 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) | BDBM50418923
(CHEMBL1807280)Show SMILES O[C@H]1CC[C@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,wU:10.20,wD:4.7,1.0,(26.16,4.03,;24.81,3.24,;23.48,4,;22.15,3.23,;22.17,1.71,;23.49,.94,;24.81,1.71,;20.85,.94,;19.51,1.7,;19.5,3.24,;18.18,.93,;18.18,-.62,;16.85,-1.39,;15.52,-.62,;14.19,-1.4,;14.19,-2.94,;12.86,-3.71,;15.54,-3.71,;16.87,-2.93,;16.84,1.69,;16.84,3.23,;18.16,4.01,;15.5,4,;14.17,3.22,;12.83,3.98,;11.5,3.21,;11.5,1.67,;10.17,.9,;12.83,.9,;14.17,1.67,)| Show InChI InChI=1S/C23H26Cl2N2O3/c24-17-5-1-15(2-6-17)13-21(23(30)26-19-9-11-20(28)12-10-19)27-22(29)14-16-3-7-18(25)8-4-16/h1-8,19-21,28H,9-14H2,(H,26,30)(H,27,29)/t19-,20+,21-/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 129 | 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 | |