Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50338789'   

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))	BDBM50338789 (CHEMBL1684552 | N-(cyclopropylmethyl)-2-(6-(3-morp...) Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cnc2ccccc2c1)NCC1CC1 Show InChI InChI=1S/C30H33N5O4/c36-28(32-18-21-6-7-21)20-35-29(23-16-22-4-1-2-5-26(22)31-19-23)33-27-9-8-24(17-25(27)30(35)37)39-13-3-10-34-11-14-38-15-12-34/h1-2,4-5,8-9,16-17,19,21H,3,6-7,10-15,18,20H2,(H,32,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay				Bioorg Med Chem Lett 21: 1871-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.081 BindingDB Entry DOI: 10.7270/Q2BR8SG4
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