BindingDB logo
myBDB logout

BDBM50085905 CHEMBL3085534::Octanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester

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

InChI Key: InChIKey=ZWSGCDVERATBCU-XDHOZWIPSA-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 = 50085905   
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))
BDBM50085905
PNG
(CHEMBL3085534 | Octanoic acid 2-hydroxymethyl-4-(3...)
Show SMILES CCCCCCCC(=O)OC[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-10-11-21(25)27-16-23(15-24)14-19(22(26)28-23)12-13-20(17(2)3)18(4)5/h12,17-18,20,24H,6-11,13-16H2,1-5H3/b19-12+
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