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BDBM50085881 3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-yl]-acrylic acid hexyl ester::CHEMBL355787

SMILES: CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1

InChI Key: InChIKey=ZCHNHMBJTXBRMA-QQKDIBHJSA-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 = 50085881   
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))
BDBM50085881
PNG
(3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentyli...)
Show SMILES CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C23H38O5/c1-6-7-8-9-14-27-21(25)12-13-23(16-24)15-19(22(26)28-23)10-11-20(17(2)3)18(4)5/h10,12-13,17-18,20,24H,6-9,11,14-16H2,1-5H3/b13-12+,19-10-/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)

More data for this
Ligand-Target Pair