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BDBM50054012 (E)-6-(2,3-Dichloro-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid::CHEMBL135055

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

InChI Key: InChIKey=QPCWTRRQNQLHFL-WEVVVXLNSA-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 = 50054012   
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))
BDBM50054012
PNG
((E)-6-(2,3-Dichloro-6-methoxy-4,5-dimethyl-phenyl)...)
Show SMILES COc1c(C)c(C)c(Cl)c(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H20Cl2O3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8H2,1-4H3,(H,19,20)/b9-5+
PDB
MMDB

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Similars

Article
PubMed
n/an/a 557n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


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