Compile Data Set for Download or QSAR

Found 2 hits 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 = 'BDBM50223545'   

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)	BDBM50223545 (CHEMBL354142) Show SMILES CCC(=O)N1C2CCN(CCc3ccccc3)CC2c2ccccc12 Show InChI InChI=1S/C22H26N2O/c1-2-22(25)24-20-11-7-6-10-18(20)19-16-23(15-13-21(19)24)14-12-17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to opioid receptors by the displacement of [3H]fentanyl in rat brain homogenates				J Med Chem 24: 777-82 (1981) BindingDB Entry DOI: 10.7270/Q2BP050P
					More data for this Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 (Rattus norvegicus (rat)-RAT)	BDBM50223545 (CHEMBL354142) Show SMILES CCC(=O)N1C2CCN(CCc3ccccc3)CC2c2ccccc12 Show InChI InChI=1S/C22H26N2O/c1-2-22(25)24-20-11-7-6-10-18(20)19-16-23(15-13-21(19)24)14-12-17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	889	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to opioid receptors by the displacement of [3H]fentanyl in rat brain homogenates				J Med Chem 24: 777-82 (1981) BindingDB Entry DOI: 10.7270/Q2BP050P
					More data for this Ligand-Target Pair