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Compile Data Set for Download or QSAR

Found 1063 hits with Last Name = 'hall' and Initial = 'se'   
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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM81997
PNG
(CAS_114865 | NSC_114865 | U44069)
Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)
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4.40n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50008781
PNG
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002805
PNG
((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)
Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
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5.43n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM81997
PNG
(CAS_114865 | NSC_114865 | U44069)
Show SMILES CCCCCC(O)C=CC1C2COC(C2)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)
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7.10n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50008781
PNG
(7-(3-(2-ethyl-N-phenylhydrazinecarboxamide)-7-oxa-...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1
Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18+,19?/m1/s1
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7.34n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50107463
PNG
((S)-1-((R)-2-Methanesulfonylamino-3-phenyl-propion...)
Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N
Show InChI InChI=1S/C22H34N6O4S/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29)/t18-,19+/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Competitive kinetic for human alpha thrombin inhibition Ki was determined


Bioorg Med Chem Lett 12: 45-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00667-9
BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002805
PNG
((daltroban){4-[2-(4-Chloro-benzenesulfonylamino)-e...)
Show SMILES OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)
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11.3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50018531
PNG
((Z)-7-[(S)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-...)
Show SMILES CCCCC[C@H](O)\C=C\C1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19?,20-/m1/s1
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18.7n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM81998
PNG
(CAS_119571 | NSC_119571 | SQ 30741)
Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)
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28.3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM81999
PNG
(CAS_3036123 | NSC_3036123 | SQ 28668)
Show SMILES CC(C(O)C=CC1C2CCC(O2)C1CC=CCCCC(O)=O)c1ccccc1
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)
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31.8n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM81998
PNG
(CAS_119571 | NSC_119571 | SQ 30741)
Show SMILES CCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C23H38N2O5/c1-2-3-4-8-11-21(26)25-16-22(27)24-15-18-17(19-13-14-20(18)30-19)10-7-5-6-9-12-23(28)29/h5,7,17-20H,2-4,6,8-16H2,1H3,(H,24,27)(H,25,26)(H,28,29)
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49.6n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM81999
PNG
(CAS_3036123 | NSC_3036123 | SQ 28668)
Show SMILES CC(C(O)C=CC1C2CCC(O2)C1CC=CCCCC(O)=O)c1ccccc1
Show InChI InChI=1S/C24H32O4/c1-17(18-9-5-4-6-10-18)21(25)14-13-20-19(22-15-16-23(20)28-22)11-7-2-3-8-12-24(26)27/h2,4-7,9-10,13-14,17,19-23,25H,3,8,11-12,15-16H2,1H3,(H,26,27)
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72.7n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50107460
PNG
((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...)
Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C28H38N6O5S/c29-28(31-37)33-16-13-22(14-17-33)19-30-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-40(38,39)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32,37H,7,12-20H2,(H2,29,31)(H,30,35)/t24-,25+/m1/s1
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460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Competitive kinetic for thrombin inhibition Ki was determined


Bioorg Med Chem Lett 12: 45-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00667-9
BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50002765
PNG
(BM 13177 | BM-13177 | CHEMBL8273 | Sulotroban | [4...)
Show SMILES OC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
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1.40E+3n/an/an/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 245: 786-92 (1988)


BindingDB Entry DOI: 10.7270/Q2D21W4Z
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
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))
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
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



Sphinx Laboratories



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


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2VH5M1B
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, 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
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 human protein kinase C eta


Bioorg Med Chem Lett 5: 2151-2154 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2MP536X
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
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
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



Sphinx Laboratories



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


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2VH5M1B
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
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))
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
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 human Protein kinase C delta


Bioorg Med Chem Lett 5: 2151-2154 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2MP536X
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(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
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 1n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of src kinase


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
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
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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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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 delta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
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
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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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C delta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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 eta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50055672
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO11/c30-12-13-8-18(29-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,30-34H,8-9,12H2,(H,29,36)(H,37,38)/t13-,18+,22+/m0/s1
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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50107460
PNG
((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...)
Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C28H38N6O5S/c29-28(31-37)33-16-13-22(14-17-33)19-30-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-40(38,39)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32,37H,7,12-20H2,(H2,29,31)(H,30,35)/t24-,25+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of thrombin was determined


Bioorg Med Chem Lett 12: 45-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00667-9
BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50107460
PNG
((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...)
Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C28H38N6O5S/c29-28(31-37)33-16-13-22(14-17-33)19-30-26(35)25-12-7-15-34(25)27(36)24(18-21-8-3-1-4-9-21)32-40(38,39)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-25,32,37H,7,12-20H2,(H2,29,31)(H,30,35)/t24-,25+/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of human alpha thrombin


Bioorg Med Chem Lett 12: 45-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00667-9
BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055668
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17-,21-/m1/s1
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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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
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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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
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 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))
BDBM50055684
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H23NO11/c29-14-6-4-12(5-7-14)25(35)28-17-10-15(30)11-21(17)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,15,17,21,29-33H,10-11H2,(H,28,35)(H,36,37)/t15?,17-,21-/m1/s1
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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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))
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
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))
BDBM50055668
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C27H24N2O10/c28-14-10-17(29-25(35)12-4-6-15(30)7-5-12)21(11-14)39-27(38)13-8-19(32)23(20(33)9-13)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-9,14,17,21,30-33H,10-11,28H2,(H,29,35)(H,36,37)/t14-,17-,21-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50055677
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18+,22+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50055685
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H26N2O10/c29-12-13-8-18(30-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,31-34H,8-9,12,29H2,(H,30,36)(H,37,38)/t13-,18-,22-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50285087
PNG
((R)-2-{2,6-Dihydroxy-4-[(3R,4R)-4-(4-hydroxy-benzo...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)N[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H23N3O9/c30-14-6-4-12(5-7-14)24(35)28-16-10-27-11-17(16)29-25(36)13-8-19(32)22(20(33)9-13)23(34)21-15(26(37)38)2-1-3-18(21)31/h1-9,16-17,27,30-33H,10-11H2,(H,28,35)(H,29,36)(H,37,38)/t16-,17-/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 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
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
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 zeta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055672
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO11/c30-12-13-8-18(29-26(36)14-4-6-16(31)7-5-14)22(9-13)40-28(39)15-10-20(33)24(21(34)11-15)25(35)23-17(27(37)38)2-1-3-19(23)32/h1-7,10-11,13,18,22,30-34H,8-9,12H2,(H,29,36)(H,37,38)/t13-,18+,22+/m0/s1
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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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))
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
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



Sphinx Laboratories



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


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2VH5M1B
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
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 4n/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, 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
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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A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
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
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
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