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BDBM50441267 CHEMBL2431482

SMILES: Cc1ccc(Nc2scc(O)c2C(N)=O)cc1C

InChI Key: InChIKey=DVSYSWHUNGWNGH-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50441267   
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 falciparum)
BDBM50441267
PNG
(CHEMBL2431482)
Show SMILES Cc1ccc(Nc2scc(O)c2C(N)=O)cc1C
Show InChI InChI=1S/C13H14N2O2S/c1-7-3-4-9(5-8(7)2)15-13-11(12(14)17)10(16)6-18-13/h3-6,15-16H,1-2H3,(H2,14,17)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/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...


J Med Chem 56: 7911-24 (2013)


Article DOI: 10.1021/jm400938g
BindingDB Entry DOI: 10.7270/Q2S183XG
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50441267
PNG
(CHEMBL2431482)
Show SMILES Cc1ccc(Nc2scc(O)c2C(N)=O)cc1C
Show InChI InChI=1S/C13H14N2O2S/c1-7-3-4-9(5-8(7)2)15-13-11(12(14)17)10(16)6-18-13/h3-6,15-16H,1-2H3,(H2,14,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



State Key Laboratory of Bioreactor Engineering

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His10-tagged human DHODH (Met30 to Arg396) expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate measur...


J Med Chem 56: 7911-24 (2013)


Article DOI: 10.1021/jm400938g
BindingDB Entry DOI: 10.7270/Q2S183XG
More data for this
Ligand-Target Pair