Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50345078'   

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 V1b receptor (Homo sapiens (Human))	BDBM50345078 (1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-...) Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)NCCCN2CCN(C)CC2)c2ccccc12 Show InChI InChI=1S/C27H36N4O4S/c1-19-20(2)25(12-11-24(19)35-5)36(33,34)31-21(3)26(22-9-6-7-10-23(22)31)27(32)28-13-8-14-30-17-15-29(4)16-18-30/h6-7,9-12H,8,13-18H2,1-5H3,(H,28,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	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 vasopressin V1B receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
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