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PubMed code 18272363

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of monoamine oxidase A


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50374176
PNG
(CHEMBL255590 | JNJ-27390467)
Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1
Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
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n/an/a 7.20E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of monoamine oxidase B


Bioorg Med Chem Lett 18: 2114-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%