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 = 'BDBM50228250'   

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)	BDBM50228250 (CHEMBL369455) Show SMILES CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2ncnn2)CC1 Show InChI InChI=1S/C20H28N6O4/c1-3-18(27)26(17-7-5-4-6-8-17)20(15-30-19(28)29-2)9-11-24(12-10-20)13-14-25-22-16-21-23-25/h4-8,16H,3,9-15H2,1-2H3	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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