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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 = 'BDBM50122946'   
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


(Bos taurus (bovine))
BDBM50122946
PNG
(CHEMBL334195 | Hexanoic acid (5-hydroxymethyl-2-is...)
Show SMILES CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C21H33N3O3/c1-5-6-7-8-19(26)22-16-9-10-18-15(11-16)12-17(13-25)23-21(27)20(14(2)3)24(18)4/h9-11,14,17,20,25H,5-8,12-13H2,1-4H3,(H,22,26)(H,23,27)/t17-,20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
225n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50122946
PNG
(CHEMBL334195 | Hexanoic acid (5-hydroxymethyl-2-is...)
Show SMILES CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C21H33N3O3/c1-5-6-7-8-19(26)22-16-9-10-18-15(11-16)12-17(13-25)23-21(27)20(14(2)3)24(18)4/h9-11,14,17,20,25H,5-8,12-13H2,1-4H3,(H,22,26)(H,23,27)/t17-,20-/m0/s1
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MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
225n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair