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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50013594   
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
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132318
PNG
(3-(1-{2-[2-(2-Dimethylamino-ethoxy)-ethoxy]-ethyl}...)
Show SMILES CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132309
PNG
(23-ethyl-17,20-dioxa-4,14,23,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-12-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-6-4-8-22(24)26)14-16-38-18-17-37-15-13-32/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132317
PNG
(17,23-dimethyl-20-oxa-4,14,17,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-13-34-19-23(21-7-3-5-9-25(21)34)27-28(30(37)31-29(27)36)24-20-35(26-10-6-4-8-22(24)26)14-12-33(2)16-18-38-17-15-32/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Calcium/calmodulin-dependent protein kinase type II


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8296
PNG
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132316
PNG
(17,26-dimethyl-20,23-dioxa-4,14,17,26,29-pentaazah...)
Show SMILES CN1CCOCCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:17|
Show InChI InChI=1S/C32H37N5O4/c1-34-11-13-36-21-25(23-7-3-5-9-27(23)36)29-30(32(39)33-31(29)38)26-22-37(28-10-6-4-8-24(26)28)14-12-35(2)16-18-41-20-19-40-17-15-34/h3-10,21-22H,11-20H2,1-2H3,(H,33,38,39)
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132311
PNG
(20,23-dimethyl-17-oxa-4,14,20,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-12-33(2)15-17-38-18-16-35-20-24(22-8-4-6-10-26(22)35)28-27(29(36)31-30(28)37)23-19-34(14-13-32)25-9-5-3-7-21(23)25/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 9n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132319
PNG
(20-isopropyl-17,23-dioxa-4,14,20,26-tetraazahexacy...)
Show SMILES CC(C)N1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C31H34N4O4/c1-21(2)33-11-15-38-17-13-34-19-24(22-7-3-5-9-26(22)34)28-29(31(37)32-30(28)36)25-20-35(14-18-39-16-12-33)27-10-6-4-8-23(25)27/h3-10,19-21H,11-18H2,1-2H3,(H,32,36,37)
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n/an/a 17n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 18n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132309
PNG
(23-ethyl-17,20-dioxa-4,14,23,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-12-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-6-4-8-22(24)26)14-16-38-18-17-37-15-13-32/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 19n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 25n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 25n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132317
PNG
(17,23-dimethyl-20-oxa-4,14,17,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-13-34-19-23(21-7-3-5-9-25(21)34)27-28(30(37)31-29(27)36)24-20-35(26-10-6-4-8-22(24)26)14-12-33(2)16-18-38-17-15-32/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132315
PNG
(17,20,23-trimethyl-4,14,17,20,23,26-hexaazahexacyc...)
Show SMILES CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C31H36N6O2/c1-33-12-14-34(2)16-18-36-20-24(22-8-4-6-10-26(22)36)28-29(31(39)32-30(28)38)25-21-37(19-17-35(3)15-13-33)27-11-7-5-9-23(25)27/h4-11,20-21H,12-19H2,1-3H3,(H,32,38,39)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132309
PNG
(23-ethyl-17,20-dioxa-4,14,23,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-12-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-6-4-8-22(24)26)14-16-38-18-17-37-15-13-32/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132315
PNG
(17,20,23-trimethyl-4,14,17,20,23,26-hexaazahexacyc...)
Show SMILES CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C31H36N6O2/c1-33-12-14-34(2)16-18-36-20-24(22-8-4-6-10-26(22)36)28-29(31(39)32-30(28)38)25-21-37(19-17-35(3)15-13-33)27-11-7-5-9-23(25)27/h4-11,20-21H,12-19H2,1-3H3,(H,32,38,39)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132315
PNG
(17,20,23-trimethyl-4,14,17,20,23,26-hexaazahexacyc...)
Show SMILES CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C31H36N6O2/c1-33-12-14-34(2)16-18-36-20-24(22-8-4-6-10-26(22)36)28-29(31(39)32-30(28)38)25-21-37(19-17-35(3)15-13-33)27-11-7-5-9-23(25)27/h4-11,20-21H,12-19H2,1-3H3,(H,32,38,39)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132314
PNG
(20,26-diethyl-17,23-dioxa-4,14,20,26,29-pentaazahe...)
Show SMILES CCN1CCOCCN(CC)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:16|
Show InChI InChI=1S/C34H41N5O4/c1-3-36-13-14-38-23-27(25-9-5-7-11-29(25)38)31-32(34(41)35-33(31)40)28-24-39(30-12-8-6-10-26(28)30)18-22-43-21-17-37(4-2)16-20-42-19-15-36/h5-12,23-24H,3-4,13-22H2,1-2H3,(H,35,40,41)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132311
PNG
(20,23-dimethyl-17-oxa-4,14,20,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-12-33(2)15-17-38-18-16-35-20-24(22-8-4-6-10-26(22)35)28-27(29(36)31-30(28)37)23-19-34(14-13-32)25-9-5-3-7-21(23)25/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 33n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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n/an/a 40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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n/an/a 40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132317
PNG
(17,23-dimethyl-20-oxa-4,14,17,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-13-34-19-23(21-7-3-5-9-25(21)34)27-28(30(37)31-29(27)36)24-20-35(26-10-6-4-8-22(24)26)14-12-33(2)16-18-38-17-15-32/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 41n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132313
PNG
(20-methyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C29H30N4O4/c1-31-10-14-36-16-12-32-18-22(20-6-2-4-8-24(20)32)26-27(29(35)30-28(26)34)23-19-33(13-17-37-15-11-31)25-9-5-3-7-21(23)25/h2-9,18-19H,10-17H2,1H3,(H,30,34,35)
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n/an/a 41n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132315
PNG
(17,20,23-trimethyl-4,14,17,20,23,26-hexaazahexacyc...)
Show SMILES CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C31H36N6O2/c1-33-12-14-34(2)16-18-36-20-24(22-8-4-6-10-26(22)36)28-29(31(39)32-30(28)38)25-21-37(19-17-35(3)15-13-33)27-11-7-5-9-23(25)27/h4-11,20-21H,12-19H2,1-3H3,(H,32,38,39)
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n/an/a 43n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132318
PNG
(3-(1-{2-[2-(2-Dimethylamino-ethoxy)-ethoxy]-ethyl}...)
Show SMILES CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
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n/an/a 45n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132318
PNG
(3-(1-{2-[2-(2-Dimethylamino-ethoxy)-ethoxy]-ethyl}...)
Show SMILES CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
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n/an/a 45n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132311
PNG
(20,23-dimethyl-17-oxa-4,14,20,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-12-33(2)15-17-38-18-16-35-20-24(22-8-4-6-10-26(22)35)28-27(29(36)31-30(28)37)23-19-34(14-13-32)25-9-5-3-7-21(23)25/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 46n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132311
PNG
(20,23-dimethyl-17-oxa-4,14,20,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-12-33(2)15-17-38-18-16-35-20-24(22-8-4-6-10-26(22)35)28-27(29(36)31-30(28)37)23-19-34(14-13-32)25-9-5-3-7-21(23)25/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 46n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132318
PNG
(3-(1-{2-[2-(2-Dimethylamino-ethoxy)-ethoxy]-ethyl}...)
Show SMILES CN1CCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCCOCC1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C30H32N4O4/c1-32-11-6-12-33-19-23(21-7-2-4-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(26-10-5-3-8-22(24)26)14-16-38-18-17-37-15-13-32/h2-5,7-10,19-20H,6,11-18H2,1H3,(H,31,35,36)
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n/an/a 46n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132313
PNG
(20-methyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C29H30N4O4/c1-31-10-14-36-16-12-32-18-22(20-6-2-4-8-24(20)32)26-27(29(35)30-28(26)34)23-19-33(13-17-37-15-11-31)25-9-5-3-7-21(23)25/h2-9,18-19H,10-17H2,1H3,(H,30,34,35)
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n/an/a 47n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C delta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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n/an/a 58n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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n/an/a 68n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132313
PNG
(20-methyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C29H30N4O4/c1-31-10-14-36-16-12-32-18-22(20-6-2-4-8-24(20)32)26-27(29(35)30-28(26)34)23-19-33(13-17-37-15-11-31)25-9-5-3-7-21(23)25/h2-9,18-19H,10-17H2,1H3,(H,30,34,35)
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n/an/a 71n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50132316
PNG
(17,26-dimethyl-20,23-dioxa-4,14,17,26,29-pentaazah...)
Show SMILES CN1CCOCCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:17|
Show InChI InChI=1S/C32H37N5O4/c1-34-11-13-36-21-25(23-7-3-5-9-27(23)36)29-30(32(39)33-31(29)38)26-22-37(28-10-6-4-8-24(26)28)14-12-35(2)16-18-41-20-19-40-17-15-34/h3-10,21-22H,11-20H2,1-2H3,(H,33,38,39)
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n/an/a 75n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 75n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50132311
PNG
(20,23-dimethyl-17-oxa-4,14,20,23,26-pentaazahexacy...)
Show SMILES CN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C30H33N5O3/c1-32-11-12-33(2)15-17-38-18-16-35-20-24(22-8-4-6-10-26(22)35)28-27(29(36)31-30(28)37)23-19-34(14-13-32)25-9-5-3-7-21(23)25/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)
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n/an/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
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