Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418375'   

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))	BDBM50418375 (CHEMBL1774014) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H30ClN3O2/c1-29-21-11-12-22(29)16-20(15-21)27-25(31)23(13-18-7-9-19(26)10-8-18)28-24(30)14-17-5-3-2-4-6-17/h2-10,20-23H,11-16H2,1H3,(H,27,31)(H,28,30)/t20-,21+,22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47.9	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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