Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50143606'   

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))	BDBM50143606 (20-cyclobutylmethyl-(1R,12R)-7-thia-5,20-diazapent...) Show SMILES Nc1nc2cc3c(C[C@@H]4C5CCCC[C@]35CCN4CC3CCC3)cc2s1 |THB:10:9:5.6.7:17.15.16| Show InChI InChI=1S/C22H29N3S/c23-21-24-18-12-17-15(11-20(18)26-21)10-19-16-6-1-2-7-22(16,17)8-9-25(19)13-14-4-3-5-14/h11-12,14,16,19H,1-10,13H2,(H2,23,24)/t16?,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane				J Med Chem 47: 1886-8 (2004) Article DOI: 10.1021/jm049978n BindingDB Entry DOI: 10.7270/Q2N58N4X
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