Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM50087551'   

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 V2 receptor (Homo sapiens (Human))	BDBM50087551 (Biphenyl-2-carboxylic acid [3-chloro-4-(4,5-dihydr...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCc2c[nH]nc2-c2sccc12 Show InChI InChI=1S/C29H21ClN4O2S/c30-24-16-20(32-28(35)22-9-5-4-8-21(22)18-6-2-1-3-7-18)10-11-23(24)29(36)34-14-12-19-17-31-33-26(19)27-25(34)13-15-37-27/h1-11,13,15-17H,12,14H2,(H,31,33)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	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 V2 receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
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