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BDBM15355 2-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide::Asinex compound no. 10

SMILES: Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=KQEQFJYYETUTSQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 15355   
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
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM15355
PNG
(2-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benz...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3/c1-9-12(6-3-7-13(9)20(22)23)14(21)19-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/a8.022



University of Texas Southwestern Medical Center



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Biol Chem 280: 21847-53 (2005)


Article DOI: 10.1074/jbc.M501100200
BindingDB Entry DOI: 10.7270/Q21G0JH3
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) Mutant (H185A)


(Plasmodium falciparum)
BDBM15355
PNG
(2-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benz...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3/c1-9-12(6-3-7-13(9)20(22)23)14(21)19-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Biol Chem 280: 21847-53 (2005)


Article DOI: 10.1074/jbc.M501100200
BindingDB Entry DOI: 10.7270/Q21G0JH3
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) Mutant (R265A)


(Plasmodium falciparum)
BDBM15355
PNG
(2-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benz...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3/c1-9-12(6-3-7-13(9)20(22)23)14(21)19-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Texas Southwestern Medical Center



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Biol Chem 280: 21847-53 (2005)


Article DOI: 10.1074/jbc.M501100200
BindingDB Entry DOI: 10.7270/Q21G0JH3
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (Human))
BDBM15355
PNG
(2-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benz...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O3/c1-9-12(6-3-7-13(9)20(22)23)14(21)19-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Biol Chem 280: 21847-53 (2005)


Article DOI: 10.1074/jbc.M501100200
BindingDB Entry DOI: 10.7270/Q21G0JH3
More data for this
Ligand-Target Pair