Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50219779'   

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))	BDBM50219779 (CHEMBL30510) Show SMILES O=C(Cn1ccc(nc1=O)-c1ccccc1)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C35H31N5O6/c41-32(21-39-17-14-29(37-34(39)43)23-6-2-1-3-7-23)36-20-28-19-26-18-24(10-11-31(26)46-28)33(42)38-15-12-27(13-16-38)40-30-9-5-4-8-25(30)22-45-35(40)44/h1-11,14,17-19,27H,12-13,15-16,20-22H2,(H,36,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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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