Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50295778'   

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))	BDBM50295778 (2-(2,6-dimethylphenoxy)-5-(4-(6-methoxypyridin-3-y...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2c(C)cccc2C)cn1 Show InChI InChI=1S/C21H20N6O2/c1-13-6-5-7-14(2)20(13)29-19-12-22-17(11-24-19)21-26-25-15(3)27(21)16-8-9-18(28-4)23-10-16/h5-12H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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 oxytocin receptor by cell based beta-lactamase assay				Bioorg Med Chem Lett 19: 2634-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.160 BindingDB Entry DOI: 10.7270/Q2736QXW
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