Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50384828'   

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))	BDBM50384828 (CHEMBL2035013) Show SMILES COc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C |r| Show InChI InChI=1S/C29H37N3O4/c1-17(2)14-23-27(33)31-25(21-15-19-10-6-7-11-20(19)16-21)29(35)32(23)26(28(34)30-18(3)4)22-12-8-9-13-24(22)36-5/h6-13,17-18,21,23,25-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t23-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
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