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BDBM28809 N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine::triazolopyrimidine-based compound, DSM72

SMILES: Cc1cc(Nc2cccc(F)c2)n2ncnc2n1

InChI Key: InChIKey=GTSBAPJTXCZABL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 28809   
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 berghei)
BDBM28809
PNG
(N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2cccc(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H10FN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3
KEGG

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/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 (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28809
PNG
(N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2cccc(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H10FN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/a8.020



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