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BDBM50071788 CHEMBL3410576

SMILES: CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C

InChI Key: InChIKey=CELUMPGHYUOWHA-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 = 50071788   
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))
BDBM50071788
PNG
(CHEMBL3410576)
Show SMILES CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
Show InChI InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18)
PDB
MMDB

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PC sid
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PDB
Article
PubMed
n/an/a 562n/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)