Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50225167'   

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))	BDBM50225167 (CHEMBL250346 | N-(4-{[3'-(hydroxymethyl)-1,2,3,5-t...) Show SMILES OCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:4.3,t:2| Show InChI InChI=1S/C35H32N2O3/c38-24-25-18-19-35(22-25)20-21-37(32-13-7-4-10-28(32)23-35)34(40)27-14-16-29(17-15-27)36-33(39)31-12-6-5-11-30(31)26-8-2-1-3-9-26/h1-17,22,38H,18-21,23-24H2,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 6623-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.059 BindingDB Entry DOI: 10.7270/Q2T72H5P
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50225167 (CHEMBL250346 | N-(4-{[3'-(hydroxymethyl)-1,2,3,5-t...) Show SMILES OCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:4.3,t:2| Show InChI InChI=1S/C35H32N2O3/c38-24-25-18-19-35(22-25)20-21-37(32-13-7-4-10-28(32)23-35)34(40)27-14-16-29(17-15-27)36-33(39)31-12-6-5-11-30(31)26-8-2-1-3-9-26/h1-17,22,38H,18-21,23-24H2,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced intracllular calciu...				Bioorg Med Chem Lett 17: 6623-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.059 BindingDB Entry DOI: 10.7270/Q2T72H5P
					More data for this Ligand-Target Pair