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BDBM50091254 CHEMBL109630::Nonanoic acid (S)-2-hydroxy-1-(4-nonylidene-5-oxo-tetrahydro-furan-2-yl)-ethyl ester::Nonanoic acid 2-hydroxy-1-(4-nonylidene-5-oxo-tetrahydro-furan-2-yl)-ethyl ester

SMILES: CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC

InChI Key: InChIKey=WAXUSWRZNQYUAJ-UJBXMFPWSA-N

Data: 2 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 2 hits for monomerid = 50091254   
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))
BDBM50091254
PNG
(CHEMBL109630 | Nonanoic acid (S)-2-hydroxy-1-(4-no...)
Show SMILES CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC
Show InChI InChI=1S/C24H42O5/c1-3-5-7-9-11-12-14-16-20-18-21(29-24(20)27)22(19-25)28-23(26)17-15-13-10-8-6-4-2/h16,21-22,25H,3-15,17-19H2,1-2H3/b20-16-/t21?,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50091254
PNG
(CHEMBL109630 | Nonanoic acid (S)-2-hydroxy-1-(4-no...)
Show SMILES CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC
Show InChI InChI=1S/C24H42O5/c1-3-5-7-9-11-12-14-16-20-18-21(29-24(20)27)22(19-25)28-23(26)17-15-13-10-8-6-4-2/h16,21-22,25H,3-15,17-19H2,1-2H3/b20-16-/t21?,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.76E+3n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase-C alpha (PK-C alpha)


J Med Chem 43: 3209-17 (2000)

More data for this
Ligand-Target Pair