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PDB code 3I65

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate Dehydrogenase (DHODH)

  (382/412 = 93%)
(Plasmodium falciparum)
BDBM24400
PNG
(5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



State Key Laboratory of Bioreactor Engineering

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DHODH (Phe158 to Ser569) expressed in Escherichia coli BL21 using dihydroorotate as substrate measured every 30 s...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)

  (382/412 = 93%)
(Plasmodium falciparum)
BDBM24400
PNG
(5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 47n/an/an/an/a8.020



University of Texas Southwestern Medical Center 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...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)

  (382/412 = 93%)
(Plasmodium falciparum)
BDBM24400
PNG
(5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 47n/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...


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output