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BDBM50054002 (E)-6-(6-Cyclopropyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid::CHEMBL132355

SMILES: C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C1CC1

InChI Key: InChIKey=BUOJHELHTNGCOY-XCVCLJGOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054002   
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))
BDBM50054002
PNG
((E)-6-(6-Cyclopropyl-4-hydroxy-7-methyl-3-oxo-1,3-...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C1CC1
Show InChI InChI=1S/C19H22O5/c1-10(4-8-15(20)21)3-7-13-16(12-5-6-12)11(2)14-9-24-19(23)17(14)18(13)22/h3,12,22H,4-9H2,1-2H3,(H,20,21)/b10-3+
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Similars

Article
PubMed
n/an/a 50.7n/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