Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50002438'   

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))	BDBM50002438 (CHEMBL382518) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C28H35N3O3/c1-17(2)14-23-26(32)30-24(22-15-20-12-8-9-13-21(20)16-22)28(34)31(23)25(27(33)29-18(3)4)19-10-6-5-7-11-19/h5-13,17-18,22-25H,14-16H2,1-4H3,(H,29,33)(H,30,32)/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	4	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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