Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50313812'   

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))	BDBM50313812 (3-(3,5-difluoro-2-methylphenoxy)-N-ethyl-N-(6-meth...) Show SMILES CCN(C(=O)N1CC(C1)Oc1cc(F)cc(F)c1C)c1ccc(OC)nc1 Show InChI InChI=1S/C19H21F2N3O3/c1-4-24(14-5-6-18(26-3)22-9-14)19(25)23-10-15(11-23)27-17-8-13(20)7-16(21)12(17)2/h5-9,15H,4,10-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.7	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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