Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305518'   

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))	BDBM50305518 ((R)-5-(3-(3-(3,5-difluoro-2-methylphenoxy)pyrrolid...) Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2cc(F)cc(F)c2C)n1-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H23F2N5O3/c1-13-17(23)8-14(22)9-18(13)31-16-6-7-27(11-16)21-26-25-19(12-29-2)28(21)15-4-5-20(30-3)24-10-15/h4-5,8-10,16H,6-7,11-12H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	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 20: 516-20 (2010) Article DOI: 10.1016/j.bmcl.2009.11.097 BindingDB Entry DOI: 10.7270/Q2MS3SWF
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