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BDBM50091245 3-Methyl-butyric acid 2-hydroxymethyl-4-(3-methyl-butylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester::CHEMBL108145

SMILES: CC(C)C\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O

InChI Key: InChIKey=YBCSXSWXPQXLEX-MLPAPPSSSA-N

Data: 1 KI

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 = 50091245   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50091245
PNG
(3-Methyl-butyric acid 2-hydroxymethyl-4-(3-methyl-...)
Show SMILES CC(C)C\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O
Show InChI InChI=1S/C16H26O5/c1-11(2)5-6-13-8-16(9-17,21-15(13)19)10-20-14(18)7-12(3)4/h6,11-12,17H,5,7-10H2,1-4H3/b13-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase C alpha


J Med Chem 43: 3209-17 (2000)

More data for this
Ligand-Target Pair