BDBM50273935 (4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethyl-1H-4,11b-methanobenzofuro[3,2-d]azocine-8-ol::CHEMBL515842

SMILES: Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1

InChI Key: InChIKey=QGADLXMTFNOCAX-OEJJCAKOSA-N

Data: 6 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 6 hits for monomerid = 50273935   

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))	BDBM50273935 ((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...) Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 51: 7866-81 (2008) Article DOI: 10.1021/jm800913d BindingDB Entry DOI: 10.7270/Q2639PM8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50273935 ((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...) Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...				Bioorg Med Chem 19: 4330-7 (2011) Article DOI: 10.1016/j.bmc.2011.05.035 BindingDB Entry DOI: 10.7270/Q2902452
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50273935 ((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...) Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...				Bioorg Med Chem 19: 4330-7 (2011) Article DOI: 10.1016/j.bmc.2011.05.035 BindingDB Entry DOI: 10.7270/Q2902452
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50273935 ((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...) Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 51: 7866-81 (2008) Article DOI: 10.1021/jm800913d BindingDB Entry DOI: 10.7270/Q2639PM8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50273935 ((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...) Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 51: 7866-81 (2008) Article DOI: 10.1021/jm800913d BindingDB Entry DOI: 10.7270/Q2639PM8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50273935 ((4R*,6aS*,11bR*)-2,3,4,5,6,6a-Hexahydro-3-phenethy...) Show SMILES Oc1cccc2c1O[C@@H]1CC[C@H]3C[C@@]21CCN3CCc1ccccc1 |r| Show InChI InChI=1S/C22H25NO2/c24-19-8-4-7-18-21(19)25-20-10-9-17-15-22(18,20)12-14-23(17)13-11-16-5-2-1-3-6-16/h1-8,17,20,24H,9-15H2/t17?,20-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...				Bioorg Med Chem 19: 4330-7 (2011) Article DOI: 10.1016/j.bmc.2011.05.035 BindingDB Entry DOI: 10.7270/Q2902452
					More data for this Ligand-Target Pair