Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50338788'   

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))	BDBM50338788 (2-(2-(1H-indol-3-yl)-6-(3-morpholinopropoxy)-4-oxo...) Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1c[nH]c2ccccc12)NCC1CC1 Show InChI InChI=1S/C29H33N5O4/c35-27(31-17-20-6-7-20)19-34-28(24-18-30-25-5-2-1-4-22(24)25)32-26-9-8-21(16-23(26)29(34)36)38-13-3-10-33-11-14-37-15-12-33/h1-2,4-5,8-9,16,18,20,30H,3,6-7,10-15,17,19H2,(H,31,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	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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