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BDBM50010604 7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hepta-4,5-dienoic acid::CHEMBL167966

SMILES: COc1c(C)c2COC(=O)c2c(O)c1CC=C=C(C)CCC(O)=O

InChI Key: InChIKey=XVSCROFYAPEZFS-UHFFFAOYSA-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 = 50010604   
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))
BDBM50010604
PNG
(7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C=C(C)CCC(O)=O
Show InChI InChI=1S/C18H20O6/c1-10(7-8-14(19)20)5-4-6-12-16(21)15-13(9-24-18(15)22)11(2)17(12)23-3/h4,21H,6-9H2,1-3H3,(H,19,20)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.20E+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