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BDBM24413 JMC521864 Compund DSM2::N-(anthracen-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine::Triazolopyrimidine-Based Compound, 20

SMILES: Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1

InChI Key: InChIKey=OXYDLVAOXASTMW-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 24413   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM24413
PNG
(JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
PDB
MMDB

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PC sid
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PDB
Article
PubMed
n/an/a 56n/an/an/an/a8.020



University of Texas at Dallas



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 51: 3649-53 (2008)


Article DOI: 10.1021/jm8001026
BindingDB Entry DOI: 10.7270/Q2PV6HNF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH)


(Homo sapiens (Human))
BDBM24413
PNG
(JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
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Article
PubMed
n/an/a>2.00E+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 (DHODH)


(Plasmodium berghei)
BDBM24413
PNG
(JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
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Article
PubMed
n/an/a 3.70E+3n/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))
BDBM24413
PNG
(JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 56n/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
3D
3D Structure (crystal)