Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50002437'   

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))	BDBM50002437 (CHEMBL194233) Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccc(cc2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(21-14-19-7-5-6-8-20(19)15-21)28(38)35(23)25(27(37)33-17(3)4)18-9-11-22(12-10-18)29(30,31)32/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human Oxytocin receptor				J Med Chem 48: 6956-69 (2005) Checked by Author Article DOI: 10.1021/jm050557v BindingDB Entry DOI: 10.7270/Q2TX3GWZ
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