Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50345139'   

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))	BDBM50345139 ((R)-5-chloro-3-(2-methoxy-5-(pyrrolidin-1-ylmethyl...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC |r| Show InChI InChI=1S/C34H35ClN4O6S/c1-43-25-9-11-26(12-10-25)46(41,42)39-29-13-8-24(35)21-27(29)34(33(39)40,38-18-5-6-30(38)32-36-15-19-45-32)28-20-23(7-14-31(28)44-2)22-37-16-3-4-17-37/h7-15,19-21,30H,3-6,16-18,22H2,1-2H3/t30-,34+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 21: 3828-31 (2011) Article DOI: 10.1016/j.bmcl.2011.03.012 BindingDB Entry DOI: 10.7270/Q20P10BC
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