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BDBM50185603 (E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enylphosphonic acid::CHEMBL427225

SMILES: COc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(O)(O)=O

InChI Key: InChIKey=CWGDQRHKUKCWHD-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185603   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185603
PNG
((E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihy...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C=CC(C)CP(O)(O)=O
Show InChI InChI=1S/C15H19O7P/c1-8(7-23(18,19)20)4-5-10-13(16)12-11(6-22-15(12)17)9(2)14(10)21-3/h4-5,8,16H,6-7H2,1-3H3,(H2,18,19,20)
PDB
MMDB

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Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair