Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418909'   

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))	BDBM50418909 (CHEMBL1807270) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(30.13,-31,;28.77,-30.23,;28.77,-28.67,;27.43,-31.01,;26.1,-30.25,;24.77,-31.02,;24.79,-32.55,;26.12,-33.31,;27.43,-32.54,;23.48,-33.32,;22.14,-32.56,;22.14,-31.02,;20.81,-33.33,;20.81,-34.87,;19.49,-35.65,;18.15,-34.88,;16.82,-35.65,;16.83,-37.19,;15.5,-37.97,;18.17,-37.96,;19.5,-37.18,;19.47,-32.57,;19.47,-31.03,;20.8,-30.25,;18.13,-30.26,;19.23,-29.16,;18.12,-28.06,;17.02,-29.17,;16.8,-31.04,;15.46,-30.28,;14.14,-31.05,;14.14,-32.59,;12.81,-33.35,;15.47,-33.36,;16.81,-32.59,)| Show InChI InChI=1S/C28H35Cl2N3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0955	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)	BDBM50418909 (CHEMBL1807270) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1 |r,wU:6.9,12.22,wD:3.2,(30.13,-31,;28.77,-30.23,;28.77,-28.67,;27.43,-31.01,;26.1,-30.25,;24.77,-31.02,;24.79,-32.55,;26.12,-33.31,;27.43,-32.54,;23.48,-33.32,;22.14,-32.56,;22.14,-31.02,;20.81,-33.33,;20.81,-34.87,;19.49,-35.65,;18.15,-34.88,;16.82,-35.65,;16.83,-37.19,;15.5,-37.97,;18.17,-37.96,;19.5,-37.18,;19.47,-32.57,;19.47,-31.03,;20.8,-30.25,;18.13,-30.26,;19.23,-29.16,;18.12,-28.06,;17.02,-29.17,;16.8,-31.04,;15.46,-30.28,;14.14,-31.05,;14.14,-32.59,;12.81,-33.35,;15.47,-33.36,;16.81,-32.59,)| Show InChI InChI=1S/C28H35Cl2N3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.09	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