Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50453490'   

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))	BDBM50453490 (CHEMBL2112736) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CCC35O)OCc1c2ccccc2cc2ccccc12 |r,TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12,21:22:18.4.5:7.13.12| Show InChI InChI=1S/C35H35NO4/c37-28-12-11-24-18-30-35(38)14-13-29(33-34(35,31(24)32(28)40-33)15-16-36(30)19-21-9-10-21)39-20-27-25-7-3-1-5-22(25)17-23-6-2-4-8-26(23)27/h1-8,11-12,17,21,29-30,33,37-38H,9-10,13-16,18-20H2/t29-,30?,33?,34?,35?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Tested for the binding affinity against the Delta opioid receptor in guinea pig brain using [3H]DPDPE				J Med Chem 37: 4270-7 (1995) BindingDB Entry DOI: 10.7270/Q2NV9JVC
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