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BDBM15349 Asinex compound no. 4::N-(3-bromophenyl)-2-methyl-3-nitrobenzamide

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

InChI Key: InChIKey=YGZFJEKSLROESA-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 = 15349   
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)
BDBM15349
PNG
(Asinex compound no. 4 | N-(3-bromophenyl)-2-methyl...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
PDB
MMDB

KEGG

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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)
BDBM15349
PNG
(Asinex compound no. 4 | N-(3-bromophenyl)-2-methyl...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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)
BDBM15349
PNG
(Asinex compound no. 4 | N-(3-bromophenyl)-2-methyl...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/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))
BDBM15349
PNG
(Asinex compound no. 4 | N-(3-bromophenyl)-2-methyl...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C14H11BrN2O3/c1-9-12(6-3-7-13(9)17(19)20)14(18)16-11-5-2-4-10(15)8-11/h2-8H,1H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+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