Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50144286'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50144286 (CHEMBL306463 | N-Ethyl-4-{[8-(5-methyl-1H-imidazol...) Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1[nH]cnc1C)c1ccccc1 |(19.23,1.17,;17.89,1.92,;17.87,3.47,;16.54,4.23,;16.52,5.77,;15.2,3.45,;15.22,1.9,;13.88,1.12,;12.55,1.9,;12.53,3.42,;13.85,4.21,;11.21,1.12,;11.23,-.41,;12.56,-1.19,;12.58,-2.9,;11.87,-1.63,;10.67,-1.63,;9.89,-2.75,;9.89,-1.19,;11.23,-3.51,;11.23,-5.06,;12.56,-5.83,;13.97,-5.22,;15,-6.36,;14.21,-7.68,;12.71,-7.35,;11.58,-8.38,;9.88,1.88,;9.88,3.42,;8.54,4.18,;7.2,3.4,;7.22,1.85,;8.56,1.11,)| Show InChI InChI=1S/C28H32N4O/c1-3-29-28(33)22-11-9-21(10-12-22)27(20-7-5-4-6-8-20)23-15-24-13-14-25(16-23)32(24)17-26-19(2)30-18-31-26/h4-12,18,24-25H,3,13-17H2,1-2H3,(H,29,33)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity towards opioid receptor delta 1				Bioorg Med Chem Lett 14: 2113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.052 BindingDB Entry DOI: 10.7270/Q21J997Q
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