Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50180188'   

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))	BDBM50180188 (CHEMBL372823 | bis-((-)-N-propargylmorphinan-3-yl)...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC#C)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC#C)c2c1 Show InChI InChI=1S/C48H60N2O4/c1-3-27-49-29-25-47-23-13-11-15-39(47)43(49)31-35-19-21-37(33-41(35)47)53-45(51)17-9-7-5-6-8-10-18-46(52)54-38-22-20-36-32-44-40-16-12-14-24-48(40,42(36)34-38)26-30-50(44)28-4-2/h1-2,19-22,33-34,39-40,43-44H,5-18,23-32H2/t39?,40?,43-,44-,47-,48-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells				J Med Chem 49: 256-62 (2006) Article DOI: 10.1021/jm050577x BindingDB Entry DOI: 10.7270/Q2HQ40QF
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