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BDBM50054029 (E)-6-(4-Hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid::CHEMBL132258

SMILES: COc1c(C)c2C(C)OC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O

InChI Key: InChIKey=GJIAZOQLHITUFN-WEVVVXLNSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50054029   
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 2 (IMPDH2)


(Homo sapiens (human))
BDBM50054029
PNG
((E)-6-(4-Hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2C(C)OC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-9(6-8-13(19)20)5-7-12-16(21)15-14(10(2)17(12)23-4)11(3)24-18(15)22/h5,11,21H,6-8H2,1-4H3,(H,19,20)/b9-5+
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MMDB

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Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair