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BDBM50010611 6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-hex-4-enoic acid::CHEMBL101365

SMILES: COc1c(C)c2COC(=O)c2c(O)c1C\C=C\CCC(O)=O

InChI Key: InChIKey=WCZSZEYTIVGGSD-ONEGZZNKSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010611   
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
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM50010611
PNG
(6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C\CCC(O)=O
Show InChI InChI=1S/C16H18O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h3-4,19H,5-8H2,1-2H3,(H,17,18)/b4-3+
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair