Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50044865'   

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 (MOUSE)	BDBM50044865 (17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydrox...) Show SMILES Cn1c2C[C@H]3CCNC[C@@H]3Cc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:23:35:14:30.28.29,19:18:14:30.28.29| Show InChI InChI=1S/C30H37N3O3/c1-32-22-11-17-6-8-31-14-19(17)10-20(22)21-13-30(35)24-12-18-4-5-23(34)27-25(18)29(30,28(36-27)26(21)32)7-9-33(24)15-16-2-3-16/h4-5,16-17,19,24,28,31,34-35H,2-3,6-15H2,1H3/t17-,19+,24?,28+,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibitory activity against delta-opioid receptor in mouse vas deferens preparation using DADLE				J Med Chem 36: 2412-5 (1993) BindingDB Entry DOI: 10.7270/Q2MP53WW
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