Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50314514'   

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))	BDBM50314514 (5-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-(6-met...) Show SMILES COCCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1 Show InChI InChI=1S/C22H24N4O3/c1-15-6-5-7-18(16(15)2)19-13-24-20(14-23-19)22(27)26(10-11-28-3)17-8-9-21(29-4)25-12-17/h5-9,12-14H,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay				Bioorg Med Chem Lett 20: 2224-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.018 BindingDB Entry DOI: 10.7270/Q2X34XMS
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