Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50345072'   

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))	BDBM50345072 ((S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)...) Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC(C)CC1 |r| Show InChI InChI=1S/C28H41N3O4S/c1-20-12-16-31(17-13-20)15-9-14-29-28(32)25(19-24-10-7-6-8-11-24)30-36(33,34)27-21(2)18-26(35-5)22(3)23(27)4/h6-8,10-11,18,20,25,30H,9,12-17,19H2,1-5H3,(H,29,32)/t25-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	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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