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BDBM50185591 (E)-2-((4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enyl)(methyl)amino)ethylphosphonic acid::CHEMBL211273

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

InChI Key: InChIKey=XAEYBURIKPZWDA-VZUCSPMQSA-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 = 50185591   
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))		BDBM50185591
PNG
((E)-2-((4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CN(C)CCP(O)(O)=O
Show InChI InChI=1S/C18H26NO7P/c1-11(9-19(3)7-8-27(22,23)24)5-6-13-16(20)15-14(10-26-18(15)21)12(2)17(13)25-4/h5,20H,6-10H2,1-4H3,(H2,22,23,24)/b11-5+
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PubMed
n/an/a>1.00E+3n/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