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BDBM50359523 CHEMBL1927147

SMILES: Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O

InChI Key: InChIKey=DISVMXDWAMMVLT-UHFFFAOYSA-N

Data: 5 KI  5 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 10 hits for monomerid = 50359523   
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)
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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72n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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101n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens)
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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414n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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1.34E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 by mass spectrophotometry


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 by mass spectrophotometry


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 by mass spectrophotometry


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 assessed as inhibition of fluorescent metabolite formation


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 by mass spectrophotometry


Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair