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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C eta type' and Ligand = 'BDBM3206'   
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 eta type


(Homo sapiens (Human))
BDBM3206
PNG
((+/-)-anti-3-[[3,5-Dihydroxy-4-[2-hydroxy-6-(metho...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H25NO9/c1-36-27(35)18-3-2-4-19(30)23(18)25(33)24-20(31)10-15(11-21(24)32)26(34)37-22-13-28-12-16(22)9-14-5-7-17(29)8-6-14/h2-8,10-11,16,22,28-32H,9,12-13H2,1H3/t16-,22-/m1/s1
PDB
MMDB

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PC cid
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Article
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C eta


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM3206
PNG
((+/-)-anti-3-[[3,5-Dihydroxy-4-[2-hydroxy-6-(metho...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H25NO9/c1-36-27(35)18-3-2-4-19(30)23(18)25(33)24-20(31)10-15(11-21(24)32)26(34)37-22-13-28-12-16(22)9-14-5-7-17(29)8-6-14/h2-8,10-11,16,22,28-32H,9,12-13H2,1H3/t16-,22-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/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 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair