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Compile Data Set for Download or QSAR

Found 41 hits of ic50 for UniProtKB: P68403   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108296
PNG
(CHEMBL289772 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13
Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20?,28-,29-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
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 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280871
PNG
(12-(3-azidopropyl)-13-methyl-6,7,12,13-tetrahydro-...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN=[N+]=[N-])c3c12
Show InChI InChI=1S/C24H20N6O/c1-29-17-9-4-2-7-14(17)20-21-16(13-26-24(21)31)19-15-8-3-5-10-18(15)30(23(19)22(20)29)12-6-11-27-28-25/h2-5,7-10H,6,11-13H2,1H3,(H,26,31)
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TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280873
PNG
(2-(13-ethyl-5-oxo-6,7,12,13-tetrahydro-5H-indolo[2...)
Show SMILES CCn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C25H20N4O/c1-2-28-18-10-5-4-9-16(18)21-22-17(14-27-25(22)30)20-15-8-3-6-11-19(15)29(13-7-12-26)23(20)24(21)28/h3-6,8-11H,2,7,13-14H2,1H3,(H,27,30)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280870
PNG
(12-(2,2-difluoroethyl)-13-methyl-6,7,12,13-tetrahy...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CC(F)F)c3c12
Show InChI InChI=1S/C23H17F2N3O/c1-27-15-8-4-2-6-12(15)19-20-14(10-26-23(20)29)18-13-7-3-5-9-16(13)28(11-17(24)25)22(18)21(19)27/h2-9,17H,10-11H2,1H3,(H,26,29)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280877
PNG
(2-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1n(CCC#N)c3ccccc3c21
Show InChI InChI=1S/C23H16N4O/c24-10-5-11-27-17-9-4-2-7-14(17)18-15-12-25-23(28)20(15)19-13-6-1-3-8-16(13)26-21(19)22(18)27/h1-4,6-9,26H,5,11-12H2,(H,25,28)
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n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280868
PNG
(12-(2,3-dihydroxypropyl)-6,7,12,13-tetrahydro-5H-i...)
Show SMILES OCC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H19N3O3/c27-11-12(28)10-26-17-8-4-2-6-14(17)18-15-9-24-23(29)20(15)19-13-5-1-3-7-16(13)25-21(19)22(18)26/h1-8,12,25,27-28H,9-11H2,(H,24,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280869
PNG
(13-methyl-12-propyl-6,7,12,13-tetrahydro-5H-indolo...)
Show SMILES CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C24H21N3O/c1-3-12-27-18-11-7-5-9-15(18)19-16-13-25-24(28)21(16)20-14-8-4-6-10-17(14)26(2)22(20)23(19)27/h4-11H,3,12-13H2,1-2H3,(H,25,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280875
PNG
(3-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES NC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H18N4O2/c24-17(28)9-10-27-16-8-4-2-6-13(16)18-14-11-25-23(29)20(14)19-12-5-1-3-7-15(12)26-21(19)22(18)27/h1-8,26H,9-11H2,(H2,24,28)(H,25,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
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 190n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128287
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-methyl-piperidi...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C27H26N4O2/c1-29-13-11-17(12-14-29)31-16-21(19-8-4-6-10-23(19)31)25-24(26(32)28-27(25)33)20-15-30(2)22-9-5-3-7-18(20)22/h3-10,15-17H,11-14H2,1-2H3,(H,28,32,33)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified rat brain protein kinase C (RB-PKC)


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280879
PNG
(12,13-diethyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a...)
Show SMILES CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CC)c3c12
Show InChI InChI=1S/C24H21N3O/c1-3-26-17-11-7-5-9-14(17)19-16-13-25-24(28)21(16)20-15-10-6-8-12-18(15)27(4-2)23(20)22(19)26/h5-12H,3-4,13H2,1-2H3,(H,25,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128282
PNG
(3-(1H-Indol-3-yl)-4-[1-(1-methyl-piperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C26H24N4O2/c1-29-12-10-16(11-13-29)30-15-20(18-7-3-5-9-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-4-2-6-17(19)21/h2-9,14-16,27H,10-13H2,1H3,(H,28,31,32)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128280
PNG
(3-[1-(1-Ethyl-piperidin-4-yl)-1H-indol-3-yl]-4-(1-...)
Show SMILES CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|
Show InChI InChI=1S/C28H28N4O2/c1-3-31-14-12-18(13-15-31)32-17-22(20-9-5-7-11-24(20)32)26-25(27(33)29-28(26)34)21-16-30(2)23-10-6-4-8-19(21)23/h4-11,16-18H,3,12-15H2,1-2H3,(H,29,33,34)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108291
PNG
(CHEMBL36891 | Indolocarbazole analogue)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-19-17(11-15)23-24-18(13-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-12-30(36,28(35)37-3)29(33,2)38-21/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1
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Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128286
PNG
(3-[1-(1-Isopropyl-piperidin-4-yl)-1H-indol-3-yl]-4...)
Show SMILES CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H30N4O2/c1-18(2)32-14-12-19(13-15-32)33-17-23(21-9-5-7-11-25(21)33)27-26(28(34)30-29(27)35)22-16-31(3)24-10-6-4-8-20(22)24/h4-11,16-19H,12-15H2,1-3H3,(H,30,34,35)
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n/an/a 250n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128290
PNG
(3-[1-(1-Cyclopropylmethyl-piperidin-4-yl)-1H-indol...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C30H30N4O2/c1-32-17-23(21-6-2-4-8-25(21)32)27-28(30(36)31-29(27)35)24-18-34(26-9-5-3-7-22(24)26)20-12-14-33(15-13-20)16-19-10-11-19/h2-9,17-20H,10-16H2,1H3,(H,31,35,36)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified rat brain protein kinase C (RB-PKC)


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128281
PNG
(18-dimethylaminomethyl-(18S)-17-oxa-4,14,21-triaza...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified rat brain protein kinase C (RB-PKC)


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108299
PNG
(CHEMBL288229 | Indolocarbazole analogue)
Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1
Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128288
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-(1-piperidin-4-yl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCNCC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H24N4O2/c1-29-14-19(17-6-2-4-8-21(17)29)23-24(26(32)28-25(23)31)20-15-30(16-10-12-27-13-11-16)22-9-5-3-7-18(20)22/h2-9,14-16,27H,10-13H2,1H3,(H,28,31,32)
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n/an/a 400n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified rat brain protein kinase C (RB-PKC)


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108295
PNG
(CHEMBL288817 | Indolocarbazole analogue)
Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280878
PNG
(12,13-dimethyl-6,7,12,13-tetrahydro-5H-indolo[2,3-...)
Show SMILES Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C22H17N3O/c1-24-15-9-5-3-7-12(15)17-14-11-23-22(26)19(14)18-13-8-4-6-10-16(13)25(2)21(18)20(17)24/h3-10H,11H2,1-2H3,(H,23,26)
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n/an/a 450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280876
PNG
(12-methyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyr...)
Show SMILES Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C21H15N3O/c1-24-15-9-5-3-7-12(15)16-13-10-22-21(25)18(13)17-11-6-2-4-8-14(11)23-19(17)20(16)24/h2-9,23H,10H2,1H3,(H,22,25)
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n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50052039
PNG
(18-hydroxymethyl-(18S)-17-oxa-4,14,21-triazahexacy...)
Show SMILES OC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H23N3O4/c30-15-16-9-10-28-13-19(17-5-1-3-7-21(17)28)23-24(26(32)27-25(23)31)20-14-29(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,13-14,16,30H,9-12,15H2,(H,27,31,32)/t16-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC


Bioorg Med Chem Lett 5: 2093-2096 (1995)


Article DOI: 10.1016/0960-894X(95)00350-3
BindingDB Entry DOI: 10.7270/Q2D50MXM
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280874
PNG
(3-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES OC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H17N3O3/c27-17(28)9-10-26-16-8-4-2-6-13(16)18-14-11-24-23(29)20(14)19-12-5-1-3-7-15(12)25-21(19)22(18)26/h1-8,25H,9-11H2,(H,24,29)(H,27,28)
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n/an/a 590n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/a 700n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108297
PNG
(CHEMBL288816 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13
Show InChI InChI=1S/C35H37N3O5S2/c1-17(2)44-15-19-7-9-24-21(11-19)28-29-23(14-36-32(29)39)27-22-12-20(16-45-18(3)4)8-10-25(22)38-31(27)30(28)37(24)26-13-35(41,33(40)42-6)34(38,5)43-26/h7-12,17-18,26,41H,13-16H2,1-6H3,(H,36,39)/t26?,34-,35-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108300
PNG
(CHEMBL38338 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13
Show InChI InChI=1S/C37H43N5O5S2/c1-36-37(45,35(44)46-6)17-28(47-36)41-26-9-7-21(19-48-13-11-39(2)3)15-23(26)30-31-25(18-38-34(31)43)29-24-16-22(20-49-14-12-40(4)5)8-10-27(24)42(36)33(29)32(30)41/h7-10,15-16,28,45H,11-14,17-20H2,1-6H3,(H,38,43)/t28?,36-,37-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108293
PNG
(CHEMBL277817 | Indolocarbazole analogue)
Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128283
PNG
(3-[1-(1-Benzyl-pyrrolidin-3-yl)-1H-indol-3-yl]-4-(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified rat brain protein kinase C (RB-PKC)


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50212623
PNG
(CHEMBL299248)
Show SMILES CC(C)=CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12 |(9.84,-19.78,;11.36,-19.34,;12.51,-20.42,;11.74,-17.8,;10.6,-16.7,;10.99,-15.12,;12.4,-14.51,;13.78,-15.12,;15.05,-14.23,;14.86,-12.71,;13.49,-12.1,;12.26,-13,;10.75,-12.67,;9.99,-11.33,;10.47,-9.87,;9.19,-8.97,;7.95,-9.87,;6.53,-9.4,;8.43,-11.33,;7.66,-12.67,;6.2,-13,;4.97,-12.1,;3.55,-12.71,;3.36,-14.23,;4.64,-15.12,;6.01,-14.51,;7.44,-15.12,;8.43,-13.99,;9.99,-13.99,)|
Show InChI InChI=1S/C25H21N3O/c1-14(2)11-12-28-19-10-6-4-8-16(19)20-17-13-26-25(29)22(17)21-15-7-3-5-9-18(15)27-23(21)24(20)28/h3-11,27H,12-13H2,1-2H3,(H,26,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50128284
PNG
(3-(1-(1-benzylpiperidin-4-yl)-1H-indol-3-yl)-4-(1-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C33H30N4O2/c1-35-20-26(24-11-5-7-13-28(24)35)30-31(33(39)34-32(30)38)27-21-37(29-14-8-6-12-25(27)29)23-15-17-36(18-16-23)19-22-9-3-2-4-10-22/h2-14,20-21,23H,15-19H2,1H3,(H,34,38,39)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified rat brain protein kinase C (RB-PKC)


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50285193
PNG
(17-hydroxymethyl-18-oxa-4,14,22-triazahexacyclo[20...)
Show SMILES OCC1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C27H25N3O4/c31-16-17-10-12-30-15-21(19-7-2-4-9-23(19)30)25-24(26(32)28-27(25)33)20-14-29(11-5-13-34-17)22-8-3-1-6-18(20)22/h1-4,6-9,14-15,17,31H,5,10-13,16H2,(H,28,32,33)
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n/an/a 6.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC


Bioorg Med Chem Lett 5: 2093-2096 (1995)


Article DOI: 10.1016/0960-894X(95)00350-3
BindingDB Entry DOI: 10.7270/Q2D50MXM
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108298
PNG
(CHEMBL29709 | Indolocarbazole analogue)
Show SMILES CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30-31-25(18-38-34(31)41)29-24-16-22(20-47-14-8-6-2)10-12-27(24)40-33(29)32(30)39(26)28-17-37(43,35(42)44-4)36(40,3)45-28/h9-12,15-16,28,43H,5-8,13-14,17-20H2,1-4H3,(H,38,41)/t28?,36-,37-/m0/s1
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n/an/a>7.60E+3n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50212624
PNG
(CHEMBL294684)
Show SMILES CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CCC)c3c12
Show InChI InChI=1S/C26H25N3O/c1-3-13-28-19-11-7-5-9-16(19)21-18-15-27-26(30)23(18)22-17-10-6-8-12-20(17)29(14-4-2)25(22)24(21)28/h5-12H,3-4,13-15H2,1-2H3,(H,27,30)
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n/an/a 8.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108292
PNG
(CHEMBL37529 | Indolocarbazole analogue)
Show SMILES CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C35H37N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h7-10,13-14,26,41H,5-6,11-12,15-18H2,1-4H3,(H,36,39)/t26?,34-,35-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50108294
PNG
(CHEMBL288818 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13
Show InChI InChI=1S/C35H33N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h5-10,13-14,26,41H,1-2,11-12,15-18H2,3-4H3,(H,36,39)/t26?,34-,35-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Growth factor receptor bound protein 2 SH2 domain


Bioorg Med Chem Lett 12: 147-50 (2001)


BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)
BDBM50280867
PNG
(2-(6,13-dimethyl-5-oxo-6,7,12,13-tetrahydro-5H-ind...)
Show SMILES CN1Cc2c(C1=O)c1c3ccccc3n(C)c1c1n(CCC#N)c3ccccc3c21
Show InChI InChI=1S/C25H20N4O/c1-27-14-17-20-16-9-4-6-11-19(16)29(13-7-12-26)24(20)23-21(22(17)25(27)30)15-8-3-5-10-18(15)28(23)2/h3-6,8-11H,7,13-14H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair