Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50263858'   

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))	BDBM50263858 (5-(3-(4-ethoxy-3-methylphenyl)-5-methyl-4H-1,2,4-t...) Show SMILES CCOc1ccc(cc1C)-c1nnc(C)n1-c1ccc(OC)nc1 Show InChI InChI=1S/C18H20N4O2/c1-5-24-16-8-6-14(10-12(16)2)18-21-20-13(3)22(18)15-7-9-17(23-4)19-11-15/h6-11H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	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 oxytocin receptor by cell based beta-lactamase reporter gene assay				Bioorg Med Chem Lett 18: 5242-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.066 BindingDB Entry DOI: 10.7270/Q2833RVK
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