Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50313817'   

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))	BDBM50313817 (5-(3-(3-(3-fluoro-2-methylphenoxy)azetidin-1-yl)-5...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1cccc(F)c1C Show InChI InChI=1S/C19H20FN5O2/c1-12-16(20)5-4-6-17(12)27-15-10-24(11-15)19-23-22-13(2)25(19)14-7-8-18(26-3)21-9-14/h4-9,15H,10-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.7	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 expressed in CHO cells by beta lactamase assay				Bioorg Med Chem Lett 20: 1851-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.143 BindingDB Entry DOI: 10.7270/Q2K074F1
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