Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305515'   

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))	BDBM50305515 ((R)-5-(3-(3-(4-fluoro-2-methylphenoxy)pyrrolidin-1...) Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CC[C@H](C1)Oc1ccc(F)cc1C |r| Show InChI InChI=1S/C20H22FN5O2/c1-13-10-15(21)4-6-18(13)28-17-8-9-25(12-17)20-24-23-14(2)26(20)16-5-7-19(27-3)22-11-16/h4-7,10-11,17H,8-9,12H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.8	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 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF
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