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BDBM200222 2-(2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl)acetic acid::JF0049

SMILES: COc1c(Br)c(Br)c(Br)c(Br)c1Cn1c(=O)ccn(CC(O)=O)c1=O

InChI Key: InChIKey=PNUIJCFYKFVAMT-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match 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 = 200222   
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
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM200222
PNG
(2-(2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl...)
Show SMILES COc1c(Br)c(Br)c(Br)c(Br)c1Cn1c(=O)ccn(CC(O)=O)c1=O
Show InChI InChI=1S/C14H10Br4N2O5/c1-25-13-6(9(15)10(16)11(17)12(13)18)4-20-7(21)2-3-19(14(20)24)5-8(22)23/h2-3H,4-5H2,1H3,(H,22,23)
PDB

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AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


ACS Chem Biol 11: 2693-2705 (2016)

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