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BDBM50054022 (E)-6-(6-Cyano-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid::CHEMBL135740

SMILES: C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C#N

InChI Key: InChIKey=WUKLWURVNBIFHI-YCRREMRBSA-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 = 50054022   
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 2 (IMPDH2)


(Homo sapiens (human))
BDBM50054022
PNG
((E)-6-(6-Cyano-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C#N
Show InChI InChI=1S/C17H17NO5/c1-9(4-6-14(19)20)3-5-11-12(7-18)10(2)13-8-23-17(22)15(13)16(11)21/h3,21H,4-6,8H2,1-2H3,(H,19,20)/b9-3+
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.55E+4n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair