Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50295779'   

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))	BDBM50295779 (2-(2-chloro-3,6-difluorophenoxy)-5-(4-(6-methoxypy...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2c(F)ccc(F)c2Cl)cn1 Show InChI InChI=1S/C19H13ClF2N6O2/c1-10-26-27-19(28(10)11-3-6-15(29-2)24-7-11)14-8-25-16(9-23-14)30-18-13(22)5-4-12(21)17(18)20/h3-9H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	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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