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BDBM50185597 (E)-2-(N-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enyl)formamido)ethylphosphonic acid::CHEMBL379098

SMILES: COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)C=O

InChI Key: InChIKey=OCFISPPMRUERDI-NYYWCZLTSA-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 = 50185597   
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))
BDBM50185597
PNG
((E)-2-(N-(4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(CCP(O)(O)=O)C=O
Show InChI InChI=1S/C18H24NO8P/c1-11(8-19(10-20)6-7-28(23,24)25)4-5-13-16(21)15-14(9-27-18(15)22)12(2)17(13)26-3/h4,10,21H,5-9H2,1-3H3,(H2,23,24,25)/b11-4+
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MMDB

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Similars

Article
PubMed
n/an/a 749n/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