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SMILES: Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)N1C(=O)CNc2ccccc12

InChI Key: InChIKey=XQXOVBCTCSGNPM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105079   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50105079 (4-(2-Oxo-3,4-dihydro-2H-quinoxalin-1-yl)-piperidin...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)N1C(=O)CNc2ccccc12 Show InChI InChI=1S/C22H22ClN3O5/c23-16-10-20-19(30-13-31-20)9-14(16)12-29-22(28)25-7-5-15(6-8-25)26-18-4-2-1-3-17(18)24-11-21(26)27/h1-4,9-10,15,24H,5-8,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105079 (4-(2-Oxo-3,4-dihydro-2H-quinoxalin-1-yl)-piperidin...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)N1C(=O)CNc2ccccc12 Show InChI InChI=1S/C22H22ClN3O5/c23-16-10-20-19(30-13-31-20)9-14(16)12-29-22(28)25-7-5-15(6-8-25)26-18-4-2-1-3-17(18)24-11-21(26)27/h1-4,9-10,15,24H,5-8,11-13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105079 (4-(2-Oxo-3,4-dihydro-2H-quinoxalin-1-yl)-piperidin...) Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)N1C(=O)CNc2ccccc12 Show InChI InChI=1S/C22H22ClN3O5/c23-16-10-20-19(30-13-31-20)9-14(16)12-29-22(28)25-7-5-15(6-8-25)26-18-4-2-1-3-17(18)24-11-21(26)27/h1-4,9-10,15,24H,5-8,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair