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BDBM50096195 CHEMBL3593251

SMILES: CC(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O

InChI Key: InChIKey=SZGGDFVWRJOOGV-RTKQUYFBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096195   
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))
BDBM50096195
PNG
(CHEMBL3593251)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C35H49N5O7/c1-5-22(3)32-31(43)21-39-18-12-11-16-28(39)35(46)36-25(14-8-10-17-30(42)29(41)6-2)33(44)37-26(34(45)38-32)19-23-20-40(47-4)27-15-9-7-13-24(23)27/h7,9,13,15,20,22,25-26,28,32H,5-6,8,10-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,25-,26-,28+,32-/m0/s1
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Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair