BindingDB PrimarySearch

BDBM14711 Asinex compound no. 6::N-(3,5-Dichlorophenyl)-2-methyl-3-nitrobenzamide::benzamide compound 3

SMILES: Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=NKIJNFMSYDSAJK-UHFFFAOYSA-N

Data: 2 KI 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 14711
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	30	-10.3	230	n/a	n/a	n/a	n/a	8.0	25
University of Leeds					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 Med Chem 50: 186-91 (2007) Article DOI: 10.1021/jm060687j BindingDB Entry DOI: 10.7270/Q2T43RB5
University of Leeds					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	6.44E+4	n/a	5.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leeds					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 Med Chem 50: 186-91 (2007) Article DOI: 10.1021/jm060687j BindingDB Entry DOI: 10.7270/Q2T43RB5
University of Leeds					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) Mutant (R265A) (Plasmodium falciparum)	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	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
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH) Mutant (H185A) (Plasmodium falciparum)	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+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
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB 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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH) (Plasmodium falciparum)	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	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
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH) (Homo sapiens (Human))	BDBM14711 (Asinex compound no. 6 \| N-(3,5-Dichlorophenyl)-2-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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
University of Texas Southwestern Medical Center					More data for this Ligand-Target Pair