BDBM28817 5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine::DSM74::triazolopyrimidine-based compound, DSM74

SMILES: Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1

InChI Key: InChIKey=LRHHXKBKRNNFRV-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 28817   

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 (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	8.0	20
University of Washington at Seattle					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 52: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH) (Plasmodium berghei)	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	KEGG GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					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 52: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) (Homo sapiens (Human))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					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 52: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Mus musculus)	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health					Assay Description Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...				J Biol Chem 289: 17980-95 (2014) Article DOI: 10.1074/jbc.M114.558353 BindingDB Entry DOI: 10.7270/Q27P8X8G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorot...				J Med Chem 57: 5381-94 (2014) Article DOI: 10.1021/jm500481t BindingDB Entry DOI: 10.7270/Q2WM1FZ6
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM28817 (5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...) Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health					Assay Description Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described ...				J Biol Chem 289: 17980-95 (2014) Article DOI: 10.1074/jbc.M114.558353 BindingDB Entry DOI: 10.7270/Q27P8X8G
					More data for this Ligand-Target Pair				3D Structure (crystal)