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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'sambucetti' and Initial = 'lc'   
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
SRSF protein kinase 1


(Mus musculus)
BDBM50235034
PNG
(CHEMBL4064277)
Show SMILES FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
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890n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of mouse His6-tagged SRPK1 expressed in Escherichia coli(BL21)


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50422364
PNG
(TRAPOXIN B)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the partially purified HDAC enzyme by 50% obtained from H1299 cell lysate


J Med Chem 45: 753-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T156D5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50422364
PNG
(TRAPOXIN B)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%


J Med Chem 45: 753-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T156D5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50422364
PNG
(TRAPOXIN B)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
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n/an/a<5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235022
PNG
(CHEMBL4078898)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235020
PNG
(CHEMBL4094492)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474360
PNG
(CHEMBL357231)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCOCC2)cc1
Show InChI InChI=1S/C25H29N3O3/c29-25(27-30)10-9-19-5-7-20(8-6-19)18-28(22-12-15-31-16-13-22)14-11-21-17-26-24-4-2-1-3-23(21)24/h1-10,17,22,26,30H,11-16,18H2,(H,27,29)/b10-9+
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n/an/a 10n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235035
PNG
(CHEMBL4066861)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235020
PNG
(CHEMBL4094492)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474333
PNG
(CHEMBL140013)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccc(F)cc23)cc1
Show InChI InChI=1S/C20H20FN3O2/c21-17-6-7-19-18(11-17)16(13-23-19)9-10-22-12-15-3-1-14(2-4-15)5-8-20(25)24-26/h1-8,11,13,22-23,26H,9-10,12H2,(H,24,25)/b8-5+
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n/an/a 14n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474337
PNG
(CHEMBL141502)
Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(\C=C\C(=O)NO)cc3)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-27-18-7-8-20-19(12-18)17(14-23-20)10-11-22-13-16-4-2-15(3-5-16)6-9-21(25)24-26/h2-9,12,14,22-23,26H,10-11,13H2,1H3,(H,24,25)/b9-6+
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n/an/a 14n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235036
PNG
(CHEMBL4082309)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16-/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474351
PNG
(CHEMBL140014)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2coc3ccccc23)cc1
Show InChI InChI=1S/C20H20N2O3/c23-20(22-24)10-9-15-5-7-16(8-6-15)13-21-12-11-17-14-25-19-4-2-1-3-18(17)19/h1-10,14,21,24H,11-13H2,(H,22,23)/b10-9+
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n/an/a 16n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235024
PNG
(CHEMBL4088144)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235022
PNG
(CHEMBL4078898)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235022
PNG
(CHEMBL4078898)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235019
PNG
(CHEMBL4067013)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235022
PNG
(CHEMBL4078898)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235020
PNG
(CHEMBL4094492)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235020
PNG
(CHEMBL4094492)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474359
PNG
(CHEMBL143255)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCCCC2)cc1
Show InChI InChI=1S/C26H31N3O2/c30-26(28-31)15-14-20-10-12-21(13-11-20)19-29(23-6-2-1-3-7-23)17-16-22-18-27-25-9-5-4-8-24(22)25/h4-5,8-15,18,23,27,31H,1-3,6-7,16-17,19H2,(H,28,30)/b15-14+
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n/an/a 20n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235021
PNG
(CHEMBL4104657)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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n/an/a 23n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50134227
PNG
((E)-N-Hydroxy-3-[4-({[2-(1H-indol-3-yl)-ethyl]-iso...)
Show SMILES CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H27N3O2/c1-17(2)26(14-13-20-15-24-22-6-4-3-5-21(20)22)16-19-9-7-18(8-10-19)11-12-23(27)25-28/h3-12,15,17,24,28H,13-14,16H2,1-2H3,(H,25,27)/b12-11+
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n/an/a 23n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474346
PNG
(CHEMBL140566)
Show SMILES CC(NCCc1c[nH]c2ccccc12)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15(17-9-6-16(7-10-17)8-11-21(25)24-26)22-13-12-18-14-23-20-5-3-2-4-19(18)20/h2-11,14-15,22-23,26H,12-13H2,1H3,(H,24,25)/b11-8+
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n/an/a 23n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474361
PNG
(CHEMBL348256)
Show SMILES OCCN(CCc1cnc2ccccc2c1)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C23H25N3O3/c27-14-13-26(12-11-20-15-21-3-1-2-4-22(21)24-16-20)17-19-7-5-18(6-8-19)9-10-23(28)25-29/h1-10,15-16,27,29H,11-14,17H2,(H,25,28)/b10-9+
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n/an/a 24n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474348
PNG
(CHEMBL140088)
Show SMILES CC(Cc1c[nH]c2ccccc12)NCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15(12-18-14-23-20-5-3-2-4-19(18)20)22-13-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,14-15,22-23,26H,12-13H2,1H3,(H,24,25)/b11-10+
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n/an/a 24n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235022
PNG
(CHEMBL4078898)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235031
PNG
(CHEMBL4064123)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12
Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235019
PNG
(CHEMBL4067013)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235021
PNG
(CHEMBL4104657)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%


J Med Chem 45: 753-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T156D5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235023
PNG
(CHEMBL4073318)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474338
PNG
(CHEMBL343823)
Show SMILES OC[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235037
PNG
(CHEMBL4102101)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCNC3)nc12
Show InChI InChI=1S/C18H23ClN8/c1-10(2)27-9-22-15-16(23-14-6-11(19)5-12(20)7-14)25-18(26-17(15)27)24-13-3-4-21-8-13/h5-7,9-10,13,21H,3-4,8,20H2,1-2H3,(H2,23,24,25,26)/t13-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235021
PNG
(CHEMBL4104657)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C20H27ClN8/c1-11(2)29-10-24-17-18(25-14-8-12(21)7-13(22)9-14)27-20(28-19(17)29)26-16-6-4-3-5-15(16)23/h7-11,15-16H,3-6,22-23H2,1-2H3,(H2,25,26,27,28)/t15-,16+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474357
PNG
(CHEMBL343068)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C19H20N2O4/c22-19(21-23)8-6-14-1-3-16(4-2-14)12-20-10-9-15-5-7-17-18(11-15)25-13-24-17/h1-8,11,20,23H,9-10,12-13H2,(H,21,22)/b8-6+
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n/an/a 30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235020
PNG
(CHEMBL4094492)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474353
PNG
(CHEMBL141087)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccc(OCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C27H27N3O3/c31-27(30-32)13-10-20-6-8-21(9-7-20)17-28-15-14-23-18-29-26-12-11-24(16-25(23)26)33-19-22-4-2-1-3-5-22/h1-13,16,18,28-29,32H,14-15,17,19H2,(H,30,31)/b13-10+
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n/an/a 30n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235019
PNG
(CHEMBL4067013)
Show SMILES CC(C)n1cnc2c(Nc3cc(Cl)cc(NC(C)=O)c3)nc(N[C@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1S/C22H29ClN8O/c1-12(2)31-11-25-19-20(27-16-9-14(23)8-15(10-16)26-13(3)32)29-22(30-21(19)31)28-18-7-5-4-6-17(18)24/h8-12,17-18H,4-7,24H2,1-3H3,(H,26,32)(H2,27,28,29,30)/t17-,18+/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235031
PNG
(CHEMBL4064123)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc12
Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50235030
PNG
(CHEMBL4091876)
Show SMILES CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc12
Show InChI InChI=1S/C19H25ClN8/c1-11(2)28-10-23-16-17(24-15-7-12(20)6-13(21)8-15)26-19(27-18(16)28)25-14-4-3-5-22-9-14/h6-8,10-11,14,22H,3-5,9,21H2,1-2H3,(H2,24,25,26,27)/t14-/m1/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474362
PNG
(CHEMBL143283)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C22H25N3O2/c26-22(25-27)13-12-17-8-10-18(11-9-17)15-23-14-4-3-5-19-16-24-21-7-2-1-6-20(19)21/h1-2,6-13,16,23-24,27H,3-5,14-15H2,(H,25,26)/b13-12+
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n/an/a 37n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474334
PNG
(CHEMBL142931)
Show SMILES Cc1nc2ccccc2n1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C20H22N4O2/c1-15-22-18-4-2-3-5-19(18)24(15)13-12-21-14-17-8-6-16(7-9-17)10-11-20(25)23-26/h2-11,21,26H,12-14H2,1H3,(H,23,25)/b11-10+
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n/an/a 38n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50235035
PNG
(CHEMBL4066861)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-14-7-5-6-13(21)10-14)26-20(27-19(17)28)25-16-9-4-3-8-15(16)22/h5-7,10-12,15-16H,3-4,8-9,22H2,1-2H3,(H2,24,25,26,27)/t15-,16+/m0/s1
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SRI International

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method


Bioorg Med Chem Lett 27: 406-412 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.056
BindingDB Entry DOI: 10.7270/Q27946ZF
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50474364
PNG
(CHEMBL358059)
Show SMILES OC[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%


J Med Chem 45: 753-7 (2002)


BindingDB Entry DOI: 10.7270/Q2T156D5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50474355
PNG
(CHEMBL142120)
Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2cc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)14-21-12-11-18-13-17-3-1-2-4-19(17)22-18/h1-10,13,21-22,25H,11-12,14H2,(H,23,24)/b10-9+
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n/an/a 46n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates


J Med Chem 46: 4609-24 (2003)


BindingDB Entry DOI: 10.7270/Q2736TP0
More data for this
Ligand-Target Pair
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