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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C alpha type' and Ligand = 'BDBM50244414'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C alpha type


(MOUSE)
BDBM50244414
PNG
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(MOUSE)
BDBM50244414
PNG
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair