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BDBM50397816 CHEMBL2177861

SMILES: CCc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1

InChI Key: InChIKey=DBJRGMHDXAPFAS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397816   
Target
(Institution)
LigandTarget
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))
BDBM50397816
PNG
(CHEMBL2177861)
Show SMILES CCc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1
Show InChI InChI=1S/C14H12Cl2N4OS/c1-2-10-6-12(21)20-13(17-10)18-14(19-20)22-7-8-5-9(15)3-4-11(8)16/h3-6H,2,7H2,1H3,(H,17,18,19)
PDB
MMDB

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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)

More data for this
Ligand-Target Pair