Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50209671'   

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))	BDBM50209671 ((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...) Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32| Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 opioid delta receptor expressed in CHO cells				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
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