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BDBM50054040 (E)-6-(3-Cyano-2-hydroxy-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid::CHEMBL131793

SMILES: COc1c(C)c(C)c(C#N)c(O)c1C\C=C(/C)CCC(O)=O

InChI Key: InChIKey=MZJIDAVIFHRWCI-BJMVGYQFSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054040   
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))
BDBM50054040
PNG
((E)-6-(3-Cyano-2-hydroxy-6-methoxy-4,5-dimethyl-ph...)
Show SMILES COc1c(C)c(C)c(C#N)c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H21NO4/c1-10(6-8-15(19)20)5-7-13-16(21)14(9-18)11(2)12(3)17(13)22-4/h5,21H,6-8H2,1-4H3,(H,19,20)/b10-5+
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 534n/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