Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50002424'   

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))	BDBM50002424 (CHEMBL371983) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2cccc(c2)N2CCN(C)CC2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C34H47N5O3/c1-22(2)18-28-31(40)35-29(26-19-23-10-7-8-11-24(23)20-26)33(42)39(28)30(32(41)36-34(3,4)5)25-12-9-13-27(21-25)38-16-14-37(6)15-17-38/h7-13,21-22,26,28-30H,14-20H2,1-6H3,(H,35,40)(H,36,41)/t28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	158	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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