Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50410639'   

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))	BDBM50410639 (CHEMBL2113205) Show SMILES Cc1ccc(cc1)N(CC(=O)NN=C1C(=O)Nc2ccccc12)S(=O)(=O)c1ccc(cc1)C#N |w:12.12| Show InChI InChI=1S/C24H19N5O4S/c1-16-6-10-18(11-7-16)29(34(32,33)19-12-8-17(14-25)9-13-19)15-22(30)27-28-23-20-4-2-3-5-21(20)26-24(23)31/h2-13H,15H2,1H3,(H,27,30)(H,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	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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