BDBM50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726

SMILES: C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1

InChI Key: InChIKey=JBSRPCWYMOJXAM-UWTIGNOOSA-N

Data: 14 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 14 hits for monomerid = 50000571   

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 opioid receptor (CALF)	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 2				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards opioid receptor kappa 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 2				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards opioid receptor kappa 2				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards opioid receptor kappa 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards Opioid receptor delta 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor mu 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Mu opioid receptor (CALF)	BDBM50000571 (3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...) Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity of the compound towards opioid receptor mu 2				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair