Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50418398'   

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))	BDBM50418398 (CHEMBL1774011) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1Cl |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H28Cl3N3O2/c1-31-19-9-10-20(31)14-18(13-19)29-25(33)22(11-15-5-7-17(26)8-6-15)30-23(32)12-16-3-2-4-21(27)24(16)28/h2-8,18-20,22H,9-14H2,1H3,(H,29,33)(H,30,32)/t18-,19+,20-,22?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.9	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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