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BDBM50010608 3-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-ylmethylsulfanyl)-propionic acid::CHEMBL165933

SMILES: COc1c(C)c2COC(=O)c2c(O)c1CSCCC(O)=O

InChI Key: InChIKey=BUZWMDXPOUNAOE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010608   
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))
BDBM50010608
PNG
(3-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CSCCC(O)=O
Show InChI InChI=1S/C14H16O6S/c1-7-8-5-20-14(18)11(8)12(17)9(13(7)19-2)6-21-4-3-10(15)16/h17H,3-6H2,1-2H3,(H,15,16)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 1.09E+4n/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