Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50219768'   

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))	BDBM50219768 (CHEMBL31556) Show SMILES FC(F)(F)c1ccc(=O)n(Cc2cccc(c2)-c2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1 Show InChI InChI=1S/C35H28F3N3O5/c36-35(37,38)27-9-11-32(42)40(20-27)19-22-4-3-6-23(16-22)31-18-26-17-24(8-10-30(26)46-31)33(43)39-14-12-28(13-15-39)41-29-7-2-1-5-25(29)21-45-34(41)44/h1-11,16-18,20,28H,12-15,19,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
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