Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50077460'   

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))	BDBM50077460 (CHEMBL3416864) Show SMILES Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-22-27(25-14-8-9-15-26(25)31(22)21-24-12-6-3-7-13-24)28(32)30-18-16-29(33,17-19-30)20-23-10-4-2-5-11-23/h2-15,33H,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor				J Med Chem 60: 1238-1246 (2017) Article DOI: 10.1021/acs.jmedchem.6b01437 BindingDB Entry DOI: 10.7270/Q2KK9F10
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077460 (CHEMBL3416864) Show SMILES Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-22-27(25-14-8-9-15-26(25)31(22)21-24-12-6-3-7-13-24)28(32)30-18-16-29(33,17-19-30)20-23-10-4-2-5-11-23/h2-15,33H,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair