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BDBM50071622 CHEMBL3410596

SMILES: CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1-c1ccccc1

InChI Key: InChIKey=CVZNJBZNWNMDTG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50071622   
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


(Homo sapiens (Human))
BDBM50071622
PNG
(CHEMBL3410596)
Show SMILES CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1-c1ccccc1
Show InChI InChI=1S/C19H17ClN2O2S/c1-3-24-18(23)17-16(13-7-5-4-6-8-13)22-19(25-17)21-14-10-9-12(2)15(20)11-14/h4-11H,3H2,1-2H3,(H,21,22)
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MMDB

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PDB
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



East China University of Science and Techology

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using dihydroorotate substrate by DCIP assay


J Med Chem 58: 1123-39 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)