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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C beta type' and Ligand = 'BDBM50055675'   
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 beta type


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 1 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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Article
n/an/a 4.40E+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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
PDB
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NCI pathway
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KEGG

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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair