Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50453483'   

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))	BDBM50453483 (CHEMBL2111912) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@H](CCC35O)OCc1cccc2ccccc12 |r,TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,21:22:18.4.5:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C31H33NO4/c33-24-11-10-21-16-26-31(34)13-12-25(35-18-22-6-3-5-20-4-1-2-7-23(20)22)29-30(31,27(21)28(24)36-29)14-15-32(26)17-19-8-9-19/h1-7,10-11,19,25-26,29,33-34H,8-9,12-18H2/t25-,26?,29?,30?,31?/m0/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	6.60	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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