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2 similar compounds to monomer 50236900

Compile data set for download or QSAR
Wt: 265.3
BDBM50272250
Wt: 251.2
BDBM50272249

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50272250,50272249   
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))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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Article
PubMed
n/an/a 4.20n/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: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50272249
PNG
(5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol | CHEMBL5...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(O)c1
Show InChI InChI=1S/C16H13NO2/c1-19-16-5-4-11-6-12(2-3-13(11)8-16)14-7-15(18)10-17-9-14/h2-10,18H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 94n/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: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
PDB

KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 238n/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: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50272249
PNG
(5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol | CHEMBL5...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(O)c1
Show InChI InChI=1S/C16H13NO2/c1-19-16-5-4-11-6-12(2-3-13(11)8-16)14-7-15(18)10-17-9-14/h2-10,18H,1H3
PDB

KEGG

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Article
PubMed
n/an/a 8.93E+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: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
PDB
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Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
PDB

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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2B6 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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Article
PubMed
n/an/a 1.89E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50272250
PNG
(3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
Show InChI InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 expressed in insect microsomes


J Med Chem 51: 5064-74 (2008)


Article DOI: 10.1021/jm800377h
BindingDB Entry DOI: 10.7270/Q2Z89C75
More data for this
Ligand-Target Pair