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BDBM50185592 (E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enyloxy)methylphosphonic acid::CHEMBL209069

SMILES: CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O

InChI Key: InChIKey=FXMQYUZSOIGHFH-BJMVGYQFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185592   
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))
BDBM50185592
PNG
((E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O
Show InChI InChI=1S/C17H23O7P/c1-4-12-11(3)14-8-24-17(19)15(14)16(18)13(12)6-5-10(2)7-23-9-25(20,21)22/h5,18H,4,6-9H2,1-3H3,(H2,20,21,22)/b10-5+
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Similars

Article
PubMed
n/an/a 23n/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
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50185592
PNG
((E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)COCP(O)(O)=O
Show InChI InChI=1S/C17H23O7P/c1-4-12-11(3)14-8-24-17(19)15(14)16(18)13(12)6-5-10(2)7-23-9-25(20,21)22/h5,18H,4,6-9H2,1-3H3,(H2,20,21,22)/b10-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Gilead Sciences Inc

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


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