Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50087547'   

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))	BDBM50087547 (2-Methyl-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2cn(C)nc2-c2sccc12 Show InChI InChI=1S/C25H22N4O2S/c1-16-5-3-4-6-20(16)24(30)26-19-9-7-17(8-10-19)25(31)29-13-11-18-15-28(2)27-22(18)23-21(29)12-14-32-23/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50087547 (2-Methyl-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2cn(C)nc2-c2sccc12 Show InChI InChI=1S/C25H22N4O2S/c1-16-5-3-4-6-20(16)24(30)26-19-9-7-17(8-10-19)25(31)29-13-11-18-15-28(2)27-22(18)23-21(29)12-14-32-23/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity for rat V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair