Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50152972'   

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))	BDBM50152972 ((2S,4R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCCN(C)CC1 Show InChI InChI=1S/C29H38ClN5O3S2/c1-32-10-5-11-33(14-13-32)28(39)25-17-22(38-2)19-35(25)29(37)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,37)/t22-,25+/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	430	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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