Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50393705'   

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))	BDBM50393705 (CHEMBL2158990) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C50H63N7O17/c51-45(68)31(19-25-7-2-1-3-8-25)54-46(69)32(21-27-22-52-30-10-5-4-9-29(27)30)55-47(70)34-11-6-18-57(34)49(71)33(20-26-12-14-28(60)15-13-26)53-37(61)16-17-38(62)56-48-42(66)41(65)44(36(24-59)72-48)74-50-43(67)40(64)39(63)35(23-58)73-50/h1-5,7-10,12-15,22,31-36,39-44,48,50,52,58-60,63-67H,6,11,16-21,23-24H2,(H2,51,68)(H,53,61)(H,54,69)(H,55,70)(H,56,62)/t31-,32-,33-,34-,35+,36+,39-,40-,41+,42+,43+,44+,48+,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor expressed in CHOK1 cells after overnight incubation by scintillation proximity assay				J Med Chem 55: 5859-67 (2012) Article DOI: 10.1021/jm300418d BindingDB Entry DOI: 10.7270/Q2PR7X3K
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