BDBM50017236 (4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydro-benzo[4,5]furo[2,3-c]pyridin-6-ol::4aS,9aR-(-)-cis-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ol::CHEMBL430441

SMILES: CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21

InChI Key: InChIKey=WYHZNSRQYYJYTK-KBPBESRZSA-N

Data: 9 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 9 hits for monomerid = 50017236   

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))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/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	16	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 Alcoholi Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 52: 7570-9 (2009) Article DOI: 10.1021/jm9004225 BindingDB Entry DOI: 10.7270/Q2FF3SFM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/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	19	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 [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting anal...				Bioorg Med Chem 21: 3298-309 (2013) Article DOI: 10.1016/j.bmc.2013.02.060 BindingDB Entry DOI: 10.7270/Q2FX7DCH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity for mouse opioid receptor mu				J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity for mouse sigma opioid receptor				J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	212	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 [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting a...				Bioorg Med Chem 21: 3298-309 (2013) Article DOI: 10.1016/j.bmc.2013.02.060 BindingDB Entry DOI: 10.7270/Q2FX7DCH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	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 Alcoholi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 52: 7570-9 (2009) Article DOI: 10.1021/jm9004225 BindingDB Entry DOI: 10.7270/Q2FF3SFM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+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 Alcoholi Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 52: 7570-9 (2009) Article DOI: 10.1021/jm9004225 BindingDB Entry DOI: 10.7270/Q2FF3SFM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/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 [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting...				Bioorg Med Chem 21: 3298-309 (2013) Article DOI: 10.1016/j.bmc.2013.02.060 BindingDB Entry DOI: 10.7270/Q2FX7DCH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50017236 ((4aS,9aR)-4a-Ethyl-2-methyl-1,2,3,4,4a,9a-hexahydr...) Show SMILES CC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc21 Show InChI InChI=1S/C14H19NO2/c1-3-14-6-7-15(2)9-13(14)17-12-5-4-10(16)8-11(12)14/h4-5,8,13,16H,3,6-7,9H2,1-2H3/t13-,14-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity for mouse opioid receptor kappa				J Med Chem 32: 2221-6 (1989) BindingDB Entry DOI: 10.7270/Q2Q240T3
					More data for this Ligand-Target Pair