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BDBM50359518 CHEMBL1927156

SMILES: Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O

InChI Key: InChIKey=YANXHZXVCKVHPB-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50359518   
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 5


(Homo sapiens)
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15E+3n/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 4


(Homo sapiens)
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
94n/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 2 (NOX2)


(Homo sapiens (Human))
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.37E+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
NADPH oxidase 1


(Homo sapiens)
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
208n/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