Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50313813'   

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))	BDBM50313813 (CHEMBL1077300 | N-ethyl-3-(3-fluoro-2-methylphenox...) Show SMILES CCN(C(=O)N1CC(C1)Oc1cccc(F)c1C)c1ccc(OC)nc1 Show InChI InChI=1S/C19H22FN3O3/c1-4-23(14-8-9-18(25-3)21-10-14)19(24)22-11-15(12-22)26-17-7-5-6-16(20)13(17)2/h5-10,15H,4,11-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.9	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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