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BDBM50273678 3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyridine::CHEMBL459969

SMILES: CCOC1CCc2cc(ccc2C1)-c1cccnc1

InChI Key: InChIKey=JHSQJBKQUUEYMB-UHFFFAOYNA-N

Data: 3 IC50

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 3 hits for monomerid = 50273678   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50273678
PNG
(3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyri...)
Show SMILES CCOC1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1/C17H19NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-6,9-10,12,17H,2,7-8,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50273678
PNG
(3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyri...)
Show SMILES CCOC1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1/C17H19NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-6,9-10,12,17H,2,7-8,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.37E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79 MZh cells


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50273678
PNG
(3-(6-Ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyri...)
Show SMILES CCOC1CCc2cc(ccc2C1)-c1cccnc1
Show InChI InChI=1/C17H19NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-6,9-10,12,17H,2,7-8,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes


J Med Chem 51: 8077-87 (2008)


Article DOI: 10.1021/jm800888q
BindingDB Entry DOI: 10.7270/Q23B6008
More data for this
Ligand-Target Pair