null

SMILES: COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213

InChI Key: InChIKey=JVIMGZUQAPMHLS-NUTKFTJISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50303847   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303847 ((+)-trans-9-Methoxy-3-methyl-2,3,4,4aalpha,5,6,7,7...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 |r| Show InChI InChI=1S/C17H23NO2/c1-18-10-9-17-12(11-18)5-3-8-15(17)20-16-13(17)6-4-7-14(16)19-2/h4,6-7,12,15H,3,5,8-11H2,1-2H3/t12-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells				J Med Chem 53: 1392-6 (2010) Article DOI: 10.1021/jm901503e BindingDB Entry DOI: 10.7270/Q2RX9C5Z
					More data for this Ligand-Target Pair