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Compile Data Set for Download or QSAR

Found 623 hits with Last Name = 'hollinshead' and Initial = 'sp'   
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
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387884
PNG
(CHEMBL2057803)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50387884
PNG
(CHEMBL2057803)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat CB2 receptor


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006250
PNG
(CHEMBL3139186)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387885
PNG
(CHEMBL2057804)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
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48n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
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82n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50387885
PNG
(CHEMBL2057804)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1
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84n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50429650
PNG
(CHEMBL2334981)
Show SMILES CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C24H25N5OS/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3/h5-9,11-14,17H,10H2,1-4H3,(H,26,30)/t14-,17-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor (unknown origin)


Bioorg Med Chem Lett 23: 1249-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C eta


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3183
PNG
(2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)
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n/an/a 0.600n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3183
PNG
(2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)
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n/an/a 0.900n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3186
PNG
((S)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H25NO11S/c32-20-11-9-17(10-12-20)13-19(31-43(40,41)21-5-2-1-3-6-21)16-42-30(39)18-14-24(34)27(25(35)15-18)28(36)26-22(29(37)38)7-4-8-23(26)33/h1-12,14-15,19,31-35H,13,16H2,(H,37,38)/t19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3186
PNG
((S)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H25NO11S/c32-20-11-9-17(10-12-20)13-19(31-43(40,41)21-5-2-1-3-6-21)16-42-30(39)18-14-24(34)27(25(35)15-18)28(36)26-22(29(37)38)7-4-8-23(26)33/h1-12,14-15,19,31-35H,13,16H2,(H,37,38)/t19-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3199
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3199
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C eta


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3199
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3201
PNG
((+-)-anti-3-[[4-(6-Carboxy-2-hydroxybenzoyl)-3,5-h...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H23NO9/c28-16-6-4-13(5-7-16)8-15-11-27-12-21(15)36-26(35)14-9-19(30)23(20(31)10-14)24(32)22-17(25(33)34)2-1-3-18(22)29/h1-7,9-10,15,21,27-31H,8,11-12H2,(H,33,34)/t15-,21-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3199
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzy...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22+/m0/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3186
PNG
((S)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C30H25NO11S/c32-20-11-9-17(10-12-20)13-19(31-43(40,41)21-5-2-1-3-6-21)16-42-30(39)18-14-24(34)27(25(35)15-18)28(36)26-22(29(37)38)7-4-8-23(26)33/h1-12,14-15,19,31-35H,13,16H2,(H,37,38)/t19-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379867
PNG
(CHEMBL2011877)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H15BrN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379866
PNG
(CHEMBL2011874)
Show SMILES COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H17FN2O2S/c1-8-6-11(8)15(20)18-16-9(2)14(19-22-16)10-4-5-13(21-3)12(17)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,18,20)/t8-,11-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGlu1 receptor expressed in Syrian hamster AV12 cells assessed as receptor-mediated changes in in...


Bioorg Med Chem Lett 23: 1249-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379861
PNG
(CHEMBL2011876)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3183
PNG
(2-({2,6-dihydroxy-4-[({2-[(4-hydroxybenzene)amido]...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)
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n/an/a 10n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C epsilon


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3200
PNG
((+-)-syn-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxybenzyl...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24O9/c28-17-9-7-14(8-10-17)11-15-3-1-6-22(15)36-27(35)16-12-20(30)24(21(31)13-16)25(32)23-18(26(33)34)4-2-5-19(23)29/h2,4-5,7-10,12-13,15,22,28-31H,1,3,6,11H2,(H,33,34)/t15-,22-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 45: 2624-43 (2002)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3201
PNG
((+-)-anti-3-[[4-(6-Carboxy-2-hydroxybenzoyl)-3,5-h...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H23NO9/c28-16-6-4-13(5-7-16)8-15-11-27-12-21(15)36-26(35)14-9-19(30)23(20(31)10-14)24(32)22-17(25(33)34)2-1-3-18(22)29/h1-7,9-10,15,21,27-31H,8,11-12H2,(H,33,34)/t15-,21-/m1/s1
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Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50429655
PNG
(CHEMBL2334976)
Show SMILES CCc1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C23H23N5OS/c1-4-16-6-5-7-19(24-16)20-21(14-8-9-18-15(11-14)12-28(3)26-18)27-30-23(20)25-22(29)17-10-13(17)2/h5-9,11-13,17H,4,10H2,1-3H3,(H,25,29)/t13-,17-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGlu5 receptor expressed in Syrian hamster AV12 cells assessed as receptor-mediated changes in in...


Bioorg Med Chem Lett 23: 1249-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50289207
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1Cc2ccccc2[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-27-19-5-2-1-4-16(19)14-24(27)42-31(41)17-12-22(35)26(23(36)13-17)28(37)25-20(30(39)40)6-3-7-21(25)34/h1-13,24,27,33-36H,14H2,(H,32,38)(H,39,40)/t24?,27-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C beta 1


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C gamma


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3152
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-4-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22N2O10/c29-14-6-4-12(5-7-14)24(34)28-16-10-27-11-20(16)38-26(37)13-8-18(31)22(19(32)9-13)23(33)21-15(25(35)36)2-1-3-17(21)30/h1-9,16,20,27,29-32H,10-11H2,(H,28,34)(H,35,36)/t16-,20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C gamma


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
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