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PubMed code 19438240

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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 delta type


(Homo sapiens (human))
BDBM50258529
PNG
(CHEMBL449158 | bryostatin 1)
Show SMILES CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC
Show InChI InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
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Article
PubMed
0.440n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50015677
PNG
((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...)
Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
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PubMed
40n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50258472
PNG
(CHEMBL466211 | bis(3-(trifluoromethyl)benzyl)5-(hy...)
Show SMILES OCc1cc(cc(c1)C(=O)OCc1cccc(c1)C(F)(F)F)C(=O)OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H18F6O5/c26-24(27,28)20-5-1-3-15(9-20)13-35-22(33)18-7-17(12-32)8-19(11-18)23(34)36-14-16-4-2-6-21(10-16)25(29,30)31/h1-11,32H,12-14H2
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205n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50258322
PNG
(CHEMBL494361 | diheptan-3-yl 5-(hydroxymethyl)isop...)
Show SMILES CCCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCCC
Show InChI InChI=1S/C23H36O5/c1-5-9-11-20(7-3)27-22(25)18-13-17(16-24)14-19(15-18)23(26)28-21(8-4)12-10-6-2/h13-15,20-21,24H,5-12,16H2,1-4H3
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PubMed
319n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50258322
PNG
(CHEMBL494361 | diheptan-3-yl 5-(hydroxymethyl)isop...)
Show SMILES CCCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCCC
Show InChI InChI=1S/C23H36O5/c1-5-9-11-20(7-3)27-22(25)18-13-17(16-24)14-19(15-18)23(26)28-21(8-4)12-10-6-2/h13-15,20-21,24H,5-12,16H2,1-4H3
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PubMed
529n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50258472
PNG
(CHEMBL466211 | bis(3-(trifluoromethyl)benzyl)5-(hy...)
Show SMILES OCc1cc(cc(c1)C(=O)OCc1cccc(c1)C(F)(F)F)C(=O)OCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H18F6O5/c26-24(27,28)20-5-1-3-15(9-20)13-35-22(33)18-7-17(12-32)8-19(11-18)23(34)36-14-16-4-2-6-21(10-16)25(29,30)31/h1-11,32H,12-14H2
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Article
PubMed
590n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50258321
PNG
(CHEMBL523053 | dihexan-3-yl 5-(hydroxymethyl)isoph...)
Show SMILES CCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCC
Show InChI InChI=1S/C21H32O5/c1-5-9-18(7-3)25-20(23)16-11-15(14-22)12-17(13-16)21(24)26-19(8-4)10-6-2/h11-13,18-19,22H,5-10,14H2,1-4H3
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PubMed
661n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM50258321
PNG
(CHEMBL523053 | dihexan-3-yl 5-(hydroxymethyl)isoph...)
Show SMILES CCCC(CC)OC(=O)c1cc(CO)cc(c1)C(=O)OC(CC)CCC
Show InChI InChI=1S/C21H32O5/c1-5-9-18(7-3)25-20(23)16-11-15(14-22)12-17(13-16)21(24)26-19(8-4)10-6-2/h11-13,18-19,22H,5-10,14H2,1-4H3
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Article
PubMed
915n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells by liquid scintillation counting


J Med Chem 52: 3969-81 (2009)


Article DOI: 10.1021/jm900229p
BindingDB Entry DOI: 10.7270/Q2ZK5GJ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%