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BDBM15354 Asinex compound no. 9::N-(3,4-dichlorophenyl)-2-methyl-3-nitrobenzamide

SMILES: Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ATRMCGMFUQBVPN-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 = 15354   
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)
BDBM15354
PNG
(Asinex compound no. 9 | N-(3,4-dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-10(3-2-4-13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
PDB
MMDB

KEGG

B.MOAD
DrugBank
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PC sid
UniChem

Similars

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)

More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) Mutant (H185A)


(Plasmodium falciparum)
BDBM15354
PNG
(Asinex compound no. 9 | N-(3,4-dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-10(3-2-4-13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+4n/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)

More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) Mutant (R265A)


(Plasmodium falciparum)
BDBM15354
PNG
(Asinex compound no. 9 | N-(3,4-dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-10(3-2-4-13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+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)

More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (human))
BDBM15354
PNG
(Asinex compound no. 9 | N-(3,4-dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-10(3-2-4-13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+4n/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)

More data for this
Ligand-Target Pair