BDBM15352 ChemBridge compound no. 7::N-(3,4-difluorophenyl)-2-methyl-3-nitrobenzamide

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

InChI Key: InChIKey=SSUWIKHINXMVLA-UHFFFAOYSA-N

Data: 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 5 hits for monomerid = 15352   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dihydroorotate Dehydrogenase (DHODH) (Plasmodium falciparum)	BDBM15352 (ChemBridge compound no. 7 | N-(3,4-difluorophenyl)...) Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C14H10F2N2O3/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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	8.0	22
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))	BDBM15352 (ChemBridge compound no. 7 | N-(3,4-difluorophenyl)...) Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C14H10F2N2O3/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/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM15352 (ChemBridge compound no. 7 | N-(3,4-difluorophenyl)...) Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C14H10F2N2O3/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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum HIs6-tagged DHODH expressed in Escherichia coli DH5alpha using L-dihydroorotate as substrate by DCIP-based spectr...				Citation and Details Article DOI: 10.1007/s00044-010-9323-4 BindingDB Entry DOI: 10.7270/Q2JQ13W3
					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) Mutant (H185A) (Plasmodium falciparum)	BDBM15352 (ChemBridge compound no. 7 | N-(3,4-difluorophenyl)...) Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C14H10F2N2O3/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/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM15352 (ChemBridge compound no. 7 | N-(3,4-difluorophenyl)...) Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C14H10F2N2O3/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/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/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