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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'bhattacharyya' and Initial = 'dk'   
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 alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085889
PNG
(CHEMBL111625 | Decanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-23(27)29-18-25(17-26)16-21(24(28)30-25)14-15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14-
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085880
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9+
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2.70n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085905
PNG
(CHEMBL3085534 | Octanoic acid 2-hydroxymethyl-4-(3...)
Show SMILES CCCCCCCC(=O)OC[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-10-11-21(25)27-16-23(15-24)14-19(22(26)28-23)12-13-20(17(2)3)18(4)5/h12,17-18,20,24H,6-11,13-16H2,1-5H3/b19-12+
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3.5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085881
PNG
(3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentyli...)
Show SMILES CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C23H38O5/c1-6-7-8-9-14-27-21(25)12-13-23(16-24)15-19(22(26)28-23)10-11-20(17(2)3)18(4)5/h10,12-13,17-18,20,24H,6-9,11,14-16H2,1-5H3/b13-12+,19-10-/t23-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085896
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-hexylidene-2...)
Show SMILES CCCCC\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C21H36O5/c1-6-7-8-9-10-17-12-21(13-22,26-20(17)24)14-25-19(23)11-18(15(2)3)16(4)5/h10,15-16,18,22H,6-9,11-14H2,1-5H3/b17-10+
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5.5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085901
PNG
(CHEMBL368346 | Hexanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C21H36O5/c1-6-7-8-9-19(23)25-14-21(13-22)12-17(20(24)26-21)10-11-18(15(2)3)16(4)5/h10,15-16,18,22H,6-9,11-14H2,1-5H3/b17-10-
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5.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085887
PNG
(CHEMBL3085533 | Octanoic acid 2-hydroxymethyl-4-(3...)
Show SMILES CCCCCCCC(=O)OC[C@]1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-10-11-21(25)27-16-23(15-24)14-19(22(26)28-23)12-13-20(17(2)3)18(4)5/h12,17-18,20,24H,6-11,13-16H2,1-5H3/b19-12-
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5.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085906
PNG
(CHEMBL171577 | Decanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-23(27)29-18-25(17-26)16-21(24(28)30-25)14-15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14+
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6.60n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085899
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-hexylidene-2...)
Show SMILES CCCCC\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C21H36O5/c1-6-7-8-9-10-17-12-21(13-22,26-20(17)24)14-25-19(23)11-18(15(2)3)16(4)5/h10,15-16,18,22H,6-9,11-14H2,1-5H3/b17-10-
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7.30n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085891
PNG
(CHEMBL173821 | Hexanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]/[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
Show InChI InChI=1S/C21H34O5/c1-6-7-8-9-19(23)25-14-21(13-22)12-17(20(24)26-21)10-11-18(15(2)3)16(4)5/h10-11,15-16,22H,6-9,12-14H2,1-5H3/b17-10+
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8.40n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085885
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-decylidene-2...)
Show SMILES CCCCCCCCC\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-14-21-16-25(17-26,30-24(21)28)18-29-23(27)15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14+
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9.5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085884
PNG
(3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tet...)
Show SMILES CCCCCCCC\C=C/CCCCCCC\C=C1\C[C@](CO)(OC1=O)\C=C\C(=O)OC
Show InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22-27(23-28,32-26(24)30)21-20-25(29)31-2/h10-11,19-21,28H,3-9,12-18,22-23H2,1-2H3/b11-10-,21-20+,24-19-/t27-/m1/s1
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11n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085883
PNG
(CHEMBL367682 | Hexanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C21H36O5/c1-6-7-8-9-19(23)25-14-21(13-22)12-17(20(24)26-21)10-11-18(15(2)3)16(4)5/h10,15-16,18,22H,6-9,11-14H2,1-5H3/b17-10+
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11n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085879
PNG
(CHEMBL172715 | Hexanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
Show InChI InChI=1S/C21H34O5/c1-6-7-8-9-19(23)25-14-21(13-22)12-17(20(24)26-21)10-11-18(15(2)3)16(4)5/h10-11,15-16,22H,6-9,12-14H2,1-5H3/b17-10-
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12n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085878
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-decylidene-2...)
Show SMILES CCCCCCCCC\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-14-21-16-25(17-26,30-24(21)28)18-29-23(27)15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14-
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13n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085882
PNG
(Butyric acid 2-hydroxymethyl-4-(3-isopropyl-4-meth...)
Show SMILES CCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C19H32O5/c1-6-7-17(21)23-12-19(11-20)10-15(18(22)24-19)8-9-16(13(2)3)14(4)5/h8,13-14,16,20H,6-7,9-12H2,1-5H3/b15-8-
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19n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085903
PNG
(3-(4-Heptadec-9-enylidene-2-hydroxymethyl-5-oxo-te...)
Show SMILES CCCCCCC\C=C/CCCCCCC\C=C1/C[C@](CO)(OC1=O)\C=C\C(=O)OC
Show InChI InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21-26(22-27,31-25(23)29)20-19-24(28)30-2/h9-10,18-20,27H,3-8,11-17,21-22H2,1-2H3/b10-9-,20-19+,23-18+/t26-/m1/s1
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20n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085890
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-butylidene-2...)
Show SMILES CCC\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C19H32O5/c1-6-7-8-15-10-19(11-20,24-18(15)22)12-23-17(21)9-16(13(2)3)14(4)5/h8,13-14,16,20H,6-7,9-12H2,1-5H3/b15-8-
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24n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085895
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-butylidene-2...)
Show SMILES CCC\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C19H32O5/c1-6-7-8-15-10-19(11-20,24-18(15)22)12-23-17(21)9-16(13(2)3)14(4)5/h8,13-14,16,20H,6-7,9-12H2,1-5H3/b15-8+
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28n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085907
PNG
(3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentyli...)
Show SMILES CCCCCCOC(=O)\C=C\[C@]1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C23H38O5/c1-6-7-8-9-14-27-21(25)12-13-23(16-24)15-19(22(26)28-23)10-11-20(17(2)3)18(4)5/h10,12-13,17-18,20,24H,6-9,11,14-16H2,1-5H3/b13-12+,19-10+/t23-/m1/s1
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30n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085893
PNG
(Butyric acid 2-hydroxymethyl-4-(3-isopropyl-4-meth...)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]/[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
Show InChI InChI=1S/C19H30O5/c1-6-7-17(21)23-12-19(11-20)10-15(18(22)24-19)8-9-16(13(2)3)14(4)5/h8-9,13-14,20H,6-7,10-12H2,1-5H3/b15-8+
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51n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085898
PNG
(Butyric acid 2-hydroxymethyl-4-(3-isopropyl-4-meth...)
Show SMILES CCCC(=O)OCC1(CO)C\C(=C/CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C19H32O5/c1-6-7-17(21)23-12-19(11-20)10-15(18(22)24-19)8-9-16(13(2)3)14(4)5/h8,13-14,16,20H,6-7,9-12H2,1-5H3/b15-8+
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54n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085894
PNG
(Butyric acid 2-hydroxymethyl-4-(3-isopropyl-4-meth...)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]C1([#6]-[#8])[#6]\[#6](=[#6]\[#6]=[#6](/[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#8]1
Show InChI InChI=1S/C19H30O5/c1-6-7-17(21)23-12-19(11-20)10-15(18(22)24-19)8-9-16(13(2)3)14(4)5/h8-9,13-14,20H,6-7,10-12H2,1-5H3/b15-8-
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68n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085892
PNG
(Acetic acid 2-hydroxymethyl-4-(3-isopropyl-4-methy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(C)=O)OC1=O)C(C)C
Show InChI InChI=1S/C17H28O5/c1-11(2)15(12(3)4)7-6-14-8-17(9-18,22-16(14)20)10-21-13(5)19/h6,11-12,15,18H,7-10H2,1-5H3/b14-6-
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123n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085888
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-ethylidene-2...)
Show SMILES C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C17H28O5/c1-6-13-8-17(9-18,22-16(13)20)10-21-15(19)7-14(11(2)3)12(4)5/h6,11-12,14,18H,7-10H2,1-5H3/b13-6+
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138n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085900
PNG
(3-Isopropyl-4-methyl-pentanoic acid 4-ethylidene-2...)
Show SMILES C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C17H28O5/c1-6-13-8-17(9-18,22-16(13)20)10-21-15(19)7-14(11(2)3)12(4)5/h6,11-12,14,18H,7-10H2,1-5H3/b13-6-
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164n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081616
PNG
(CHEMBL132879 | Tetradecanoic acid 2-hydroxymethyl-...)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1(CO)C\C(CO1)=C\C(=O)OC
Show InChI InChI=1S/C23H40O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(25)28-19-23(18-24)16-20(17-29-23)15-22(26)27-2/h15,24H,3-14,16-19H2,1-2H3/b20-15-
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350n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081615
PNG
(CHEMBL133165 | Tetradecanoic acid 2-hydroxymethyl-...)
Show SMILES CCCCCCCCCCCCCC(=O)OCC1(CO)C\C(CO1)=C/C(=O)OC
Show InChI InChI=1S/C23H40O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(25)28-19-23(18-24)16-20(17-29-23)15-22(26)27-2/h15,24H,3-14,16-19H2,1-2H3/b20-15+
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350n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085897
PNG
(Acetic acid 2-hydroxymethyl-4-(3-isopropyl-4-methy...)
Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(C)=O)OC1=O)C(C)C
Show InChI InChI=1S/C17H28O5/c1-11(2)15(12(3)4)7-6-14-8-17(9-18,22-16(14)20)10-21-13(5)19/h6,11-12,15,18H,7-10H2,1-5H3/b14-6+
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359n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085886
PNG
(Acetic acid 2-hydroxymethyl-4-(3-isopropyl-4-methy...)
Show SMILES [#6]-[#6](-[#6])-[#6](=[#6]/[#6]=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](-[#6])=O)[#8]-[#6]-1=O)\[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H26O5/c1-11(2)15(12(3)4)7-6-14-8-17(9-18,22-16(14)20)10-21-13(5)19/h6-7,11-12,18H,8-10H2,1-5H3/b14-6-
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390n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085902
PNG
(Acetic acid 2-hydroxymethyl-4-(3-isopropyl-4-methy...)
Show SMILES [#6]-[#6](-[#6])-[#6](=[#6]\[#6]=[#6]-1/[#6]C([#6]-[#8])([#6]-[#8]-[#6](-[#6])=O)[#8]-[#6]-1=O)\[#6](-[#6])-[#6]
Show InChI InChI=1S/C17H26O5/c1-11(2)15(12(3)4)7-6-14-8-17(9-18,22-16(14)20)10-21-13(5)19/h6-7,11-12,18H,8-10H2,1-5H3/b14-6+
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409n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081619
PNG
(CHEMBL133269 | [5-Acetoxymethyl-5-hydroxymethyl-di...)
Show SMILES CCCCCCCCCCCCCCCCCCOC(=O)\C=C1/COC(CO)(COC(C)=O)C1
Show InChI InChI=1S/C28H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-27(31)20-26-21-28(23-29,34-22-26)24-33-25(2)30/h20,29H,3-19,21-24H2,1-2H3/b26-20-
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580n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081620
PNG
(CHEMBL132843 | [5-Acetoxymethyl-5-hydroxymethyl-di...)
Show SMILES CCCCCCCCCCCCCCCCCCOC(=O)\C=C1\COC(CO)(COC(C)=O)C1
Show InChI InChI=1S/C28H50O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-27(31)20-26-21-28(23-29,34-22-26)24-33-25(2)30/h20,29H,3-19,21-24H2,1-2H3/b26-20+
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1.86E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081621
PNG
(CHEMBL133960 | Hexanoic acid (2R,5R)-2-hydroxymeth...)
Show SMILES CCCCCCCCCCCCCCOC(=O)C[C@H]1CC[C@@](CO)(COC(=O)CCCCC)O1
Show InChI InChI=1S/C28H52O6/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-32-27(31)22-25-19-20-28(23-29,34-25)24-33-26(30)18-16-6-4-2/h25,29H,3-24H2,1-2H3/t25-,28-/m1/s1
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2.38E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081618
PNG
(CHEMBL131645 | Tetradecanoic acid (2R,5R)-2-hydrox...)
Show SMILES CCCCCCCCCCCCCC(=O)OC[C@]1(CO)CC[C@H](CC(=O)OC)O1
Show InChI InChI=1S/C23H42O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(25)28-19-23(18-24)16-15-20(29-23)17-22(26)27-2/h20,24H,3-19H2,1-2H3/t20-,23-/m1/s1
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2.72E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081617
PNG
(CHEMBL422089 | Tetradecanoic acid (2R,5S)-2-hydrox...)
Show SMILES CCCCCCCCCCCCCC(=O)OC[C@]1(CO)CC[C@@H](CC(=O)OC)O1
Show InChI InChI=1S/C23H42O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(25)28-19-23(18-24)16-15-20(29-23)17-22(26)27-2/h20,24H,3-19H2,1-2H3/t20-,23+/m0/s1
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1.08E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50081614
PNG
(CHEMBL133170 | Hexanoic acid (2R,5S)-2-hydroxymeth...)
Show SMILES CCCCCCCCCCCCCCOC(=O)C[C@@H]1CC[C@@](CO)(COC(=O)CCCCC)O1
Show InChI InChI=1S/C28H52O6/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-32-27(31)22-25-19-20-28(23-29,34-25)24-33-26(30)18-16-6-4-2/h25,29H,3-24H2,1-2H3/t25-,28+/m0/s1
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1.28E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha


J Med Chem 42: 4129-39 (1999)


BindingDB Entry DOI: 10.7270/Q23R0S30
More data for this
Ligand-Target Pair