Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50152982'   

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))	BDBM50152982 ((2S,4R)-4-Methoxy-pyrrolidine-1,2-dicarboxylic aci...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCN(C)C Show InChI InChI=1S/C27H36ClN5O4S/c1-31(2)12-10-29-25(34)23-15-20(37-3)17-33(23)27(36)30-16-19-8-7-18(14-21(19)28)26(35)32-11-5-4-6-24-22(32)9-13-38-24/h7-9,13-14,20,23H,4-6,10-12,15-17H2,1-3H3,(H,29,34)(H,30,36)/t20-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ferring Research Ltd Curated by ChEMBL					Assay Description Effective concentration for human Oxytocin receptor				Bioorg Med Chem Lett 14: 4585-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.107 BindingDB Entry DOI: 10.7270/Q2DF6QPR
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