Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50114044'   

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))	BDBM50114044 (4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...) Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCC1CCNCC1 |(12.17,-.12,;10.79,-.82,;9.49,.02,;8.3,-.94,;8.86,-2.39,;8.02,-3.68,;6.47,-3.61,;5.64,-4.89,;6.34,-6.26,;7.87,-6.34,;8.71,-5.05,;5.5,-7.55,;6.2,-8.93,;5.35,-10.22,;3.81,-10.14,;3.11,-8.75,;3.96,-7.46,;10.4,-2.31,;11.41,-3.46,;10.92,-4.91,;11.94,-6.06,;13.44,-5.75,;13.93,-4.28,;12.9,-3.14,;13.39,-1.68,;14.76,-1,;16.05,-1.85,;15.96,-3.4,;14.56,-4.07,;14.47,-5.61,;15.75,-6.46,;17.13,-5.78,;17.24,-4.24,)| Show InChI InChI=1S/C28H30N4O/c1-21-30-31-28(25-13-11-24(12-14-25)23-7-3-2-4-8-23)32(21)26-9-5-6-10-27(26)33-20-17-22-15-18-29-19-16-22/h2-14,22,29H,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand				J Med Chem 45: 2589-98 (2002) BindingDB Entry DOI: 10.7270/Q2NC60H9
					More data for this Ligand-Target Pair