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BDBM50054049 (E)-6-(6-Amino-2,3,4-trimethyl-phenyl)-4-methyl-hex-4-enoic acid::CHEMBL132417

SMILES: C\C(CCC(O)=O)=C/Cc1c(N)cc(C)c(C)c1C

InChI Key: InChIKey=UXHJGKAYJVRPIZ-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 = 50054049   
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))
BDBM50054049
PNG
((E)-6-(6-Amino-2,3,4-trimethyl-phenyl)-4-methyl-he...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(N)cc(C)c(C)c1C
Show InChI InChI=1S/C16H23NO2/c1-10(6-8-16(18)19)5-7-14-13(4)12(3)11(2)9-15(14)17/h5,9H,6-8,17H2,1-4H3,(H,18,19)/b10-5+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.08E+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