BDBM50000572 5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL36707

SMILES: CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1

InChI Key: InChIKey=CTLFZKBHJPSVMV-SLTAFYQDSA-N

Data: 5 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 5 hits for monomerid = 50000572   

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 (CALF)	BDBM50000572 (5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...) Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	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 1				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM50000572 (5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...) Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>275	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000572 (5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...) Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1	PDB UniProtKB/SwissProt B.MOAD 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 kappa 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))	BDBM50000572 (5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...) Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000572 (5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...) Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/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 kappa 2				J Med Chem 35: 1521-5 (1992) BindingDB Entry DOI: 10.7270/Q22806JN
					More data for this Ligand-Target Pair