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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C epsilon type' and Ligand = 'BDBM3240'   
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 epsilon type


(Homo sapiens (Human))
BDBM3240
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H25N5O8/c1-33-31-26(30-32-33)17-4-2-6-19(35)23(17)25(38)24-20(36)12-15(13-21(24)37)28(40)41-22-7-3-5-18(22)29-27(39)14-8-10-16(34)11-9-14/h2,4,6,8-13,18,22,34-37H,3,5,7H2,1H3,(H,29,39)/t18-,22-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Protein kinase C epsilon


Bioorg Med Chem Lett 5: 1839-1842 (1995)


Article DOI: 10.1016/0960-894X(95)00303-B
BindingDB Entry DOI: 10.7270/Q2QN66R9
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3240
PNG
((1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl 3,5...)
Show SMILES Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H25N5O8/c1-33-31-26(30-32-33)17-4-2-6-19(35)23(17)25(38)24-20(36)12-15(13-21(24)37)28(40)41-22-7-3-5-18(22)29-27(39)14-8-10-16(34)11-9-14/h2,4,6,8-13,18,22,34-37H,3,5,7H2,1H3,(H,29,39)/t18-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair