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BDBM50330739 2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)-5-(pyridin-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione::CHEMBL1277677

SMILES: CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1

InChI Key: InChIKey=JBMFBKALKQFKHF-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50330739   
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
NADPH oxidase 4


(Homo sapiens)
BDBM50330739
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3
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PubMed
151n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50330739
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50330739
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C8


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50330739
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50330739
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3
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PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair