Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50228262'   

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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM50228262 (CHEMBL172531) Show SMILES COC(C)C(=O)OCC1(CCN(CCc2cccs2)CC1)N(C(=O)C(C)OC)c1ccccc1 Show InChI InChI=1S/C26H36N2O5S/c1-20(31-3)24(29)28(22-9-6-5-7-10-22)26(19-33-25(30)21(2)32-4)13-16-27(17-14-26)15-12-23-11-8-18-34-23/h5-11,18,20-21H,12-17,19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anaquest Pharmaceuticals Curated by ChEMBL					Assay Description In vitro affinity to displace [3H]naloxone from opioid receptor in freshly prepared rat brain homogenates				J Med Chem 32: 968-74 (1989) BindingDB Entry DOI: 10.7270/Q2XG9TBN
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