BDBM50303853 (+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinoline::(-)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalpha,5,6,7,7aalpha-octahydro-1H-benzo[4,5]furo[3,2-e]isoquinoline::CHEMBL571862

SMILES: COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213

InChI Key: InChIKey=HVQROFSHEXGBAM-APTRMMRNSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50303853   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/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	145	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))	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/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	145	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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	278	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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	278	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50303853 ((+)-trans-9-Methoxy-3-(2-phenylethyl)-2,3,4,4aalph...) Show SMILES COc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r| Show InChI InChI=1S/C24H29NO2/c1-26-21-11-6-10-20-23(21)27-22-12-5-9-19-17-25(16-14-24(19,20)22)15-13-18-7-3-2-4-8-18/h2-4,6-8,10-11,19,22H,5,9,12-17H2,1H3/t19-,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.39E+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 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