Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50152976'   

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))	BDBM50152976 ((3S,5R)-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)NCCc1ccccn1 Show InChI InChI=1S/C30H34ClN5O4S/c1-40-23-17-26(28(37)33-13-10-22-6-2-4-12-32-22)36(19-23)30(39)34-18-21-9-8-20(16-24(21)31)29(38)35-14-5-3-7-27-25(35)11-15-41-27/h2,4,6,8-9,11-12,15-16,23,26H,3,5,7,10,13-14,17-19H2,1H3,(H,33,37)(H,34,39)/t23-,26+/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	1.50E+3	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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