null

SMILES: COc1cc(C=CC(=O)N2CCC3(CC2)N(CNC3=O)c2ccccc2)c(cc1OC)[N+]([O-])=O

InChI Key: InChIKey=KQASXGJWNYGSNV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50105081   

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))	BDBM50105081 (8-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-1-ph...) Show SMILES COc1cc(C=CC(=O)N2CCC3(CC2)N(CNC3=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4| Show InChI InChI=1S/C24H26N4O6/c1-33-20-14-17(19(28(31)32)15-21(20)34-2)8-9-22(29)26-12-10-24(11-13-26)23(30)25-16-27(24)18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50105081 (8-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-1-ph...) Show SMILES COc1cc(C=CC(=O)N2CCC3(CC2)N(CNC3=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4| Show InChI InChI=1S/C24H26N4O6/c1-33-20-14-17(19(28(31)32)15-21(20)34-2)8-9-22(29)26-12-10-24(11-13-26)23(30)25-16-27(24)18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50105081 (8-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-1-ph...) Show SMILES COc1cc(C=CC(=O)N2CCC3(CC2)N(CNC3=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4| Show InChI InChI=1S/C24H26N4O6/c1-33-20-14-17(19(28(31)32)15-21(20)34-2)8-9-22(29)26-12-10-24(11-13-26)23(30)25-16-27(24)18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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