Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418377'   

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 V1a receptor (Homo sapiens (Human))	BDBM50418377 (CHEMBL1774012) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H28Cl3N3O2/c1-31-19-7-8-20(31)14-18(13-19)29-25(33)23(11-15-2-5-17(26)6-3-15)30-24(32)12-16-4-9-21(27)22(28)10-16/h2-6,9-10,18-20,23H,7-8,11-14H2,1H3,(H,29,33)(H,30,32)/t18-,19+,20-,23?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	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 V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
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