Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50345075'   

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))	BDBM50345075 ((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)N(C)CCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C28H42N4O4S/c1-21-19-26(36-6)22(2)23(3)27(21)37(34,35)29-25(20-24-11-8-7-9-12-24)28(33)31(5)13-10-14-32-17-15-30(4)16-18-32/h7-9,11-12,19,25,29H,10,13-18,20H2,1-6H3/t25-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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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