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BDBM50434228 CHEMBL2385512

SMILES: CC(C)c1cc(c(C)cc1Oc1ccccc1)-c1cc(C(O)=O)c2cc(F)ccc2n1

InChI Key: InChIKey=KOLKCHJGWGJCTG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50434228   
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))
BDBM50434228
PNG
(CHEMBL2385512)
Show SMILES CC(C)c1cc(c(C)cc1Oc1ccccc1)-c1cc(C(O)=O)c2cc(F)ccc2n1
Show InChI InChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30)
PDB
MMDB

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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human DHODH


ACS Med Chem Lett 4: 517-521 (2013)


Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)