Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418378'   

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))	BDBM50418378 (CHEMBL1774009) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-21-9-10-22(30)15-20(14-21)28-25(32)23(12-16-5-7-18(26)8-6-16)29-24(31)13-17-3-2-4-19(27)11-17/h2-8,11,20-23H,9-10,12-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.2	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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