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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C, eta' and Ligand = 'BDBM3199'   
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


(Homo sapiens (Human))
BDBM3199
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1
PDB
MMDB

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PC cid
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n/an/a 3n/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


(Homo sapiens (Human))
BDBM3199
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 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 39: 5215-27 (1996)


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