Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50178213'   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50178213 (4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=Cc1ccccc1O)c1ccc(C)cc1 |w:17.17| Show InChI InChI=1S/C24H25N3O5S/c1-3-32-21-12-14-22(15-13-21)33(30,31)27(20-10-8-18(2)9-11-20)17-24(29)26-25-16-19-6-4-5-7-23(19)28/h4-16,28H,3,17H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells				J Med Chem 48: 7882-905 (2005) Article DOI: 10.1021/jm050645f BindingDB Entry DOI: 10.7270/Q2QF8TN3
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