Found 167 hits with Last Name = 'holzle' and Initial = 'd' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| 396 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluorescent acetylated substrate |
J Med Chem 52: 7003-13 (2009)
Article DOI: 10.1021/jm9005077 BindingDB Entry DOI: 10.7270/Q2ST7PWM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50299973
(CHEMBL572374 | Octanedioic Acid [4-(3-Azidophenyl)...)Show SMILES ONC(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc(cc1)N=[N+]=[N-] Show InChI InChI=1S/C17H20N6O3S/c18-23-21-13-9-7-12(8-10-13)14-11-27-17(19-14)20-15(24)5-3-1-2-4-6-16(25)22-26/h7-11,26H,1-6H2,(H,22,25)(H,19,20,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluorescent acetylated substrate |
J Med Chem 52: 7003-13 (2009)
Article DOI: 10.1021/jm9005077 BindingDB Entry DOI: 10.7270/Q2ST7PWM |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50299972
(CHEMBL585164 | Octanedioic Acid [4-(3-Azido-5-azid...)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C22H26N8O4/c23-29-25-14-16-11-17(13-19(12-16)27-30-24)15-34-20-9-7-18(8-10-20)26-21(31)5-3-1-2-4-6-22(32)28-33/h7-13,33H,1-6,14-15H2,(H,26,31)(H,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluorescent acetylated substrate |
J Med Chem 52: 7003-13 (2009)
Article DOI: 10.1021/jm9005077 BindingDB Entry DOI: 10.7270/Q2ST7PWM |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of MMP9 |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of MMP1 |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267760
(3-Benzofuran-3-yl-4-(7-methoxymethyl-1-methyl-1H-i...)Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15| Show InChI InChI=1S/C23H18N2O4/c1-25-10-16(15-8-5-6-13(11-28-2)21(15)25)19-20(23(27)24-22(19)26)17-12-29-18-9-4-3-7-14(17)18/h3-10,12H,11H2,1-2H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267461
(3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxyme...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C22H15FN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of MMP14 |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CHK1 |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267607
(3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-hydroxymet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C22H15BrN2O4/c1-25-8-15(14-7-12(23)3-5-17(14)25)19-20(22(28)24-21(19)27)16-10-29-18-6-11(9-26)2-4-13(16)18/h2-8,10,26H,9H2,1H3,(H,24,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of AKT3 |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267800
(3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-methoxymet...)Show SMILES COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2cc(CO)ccc12 |t:15| Show InChI InChI=1S/C24H20N2O5/c1-26-9-17(16-5-3-4-14(11-30-2)22(16)26)20-21(24(29)25-23(20)28)18-12-31-19-8-13(10-27)6-7-15(18)19/h3-9,12,27H,10-11H2,1-2H3,(H,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267523
(3-(6-Chloro-5-fluoro-1-methyl-1H-indol-3-yl)-4-(6-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4| Show InChI InChI=1S/C22H14ClFN2O4/c1-26-7-13(12-5-16(24)15(23)6-17(12)26)19-20(22(29)25-21(19)28)14-9-30-18-4-10(8-27)2-3-11(14)18/h2-7,9,27H,8H2,1H3,(H,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267802
(3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-p...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CCC(O)=O)c12 |t:4| Show InChI InChI=1S/C24H18N2O5/c1-26-11-16(15-7-4-5-13(22(15)26)9-10-19(27)28)20-21(24(30)25-23(20)29)17-12-31-18-8-3-2-6-14(17)18/h2-8,11-12H,9-10H2,1H3,(H,27,28)(H,25,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK1/Cyclin B |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267520
(3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-hydroxybe...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(O)ccc23)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C21H13FN2O4/c1-24-8-14(13-6-10(22)2-5-16(13)24)18-19(21(27)23-20(18)26)15-9-28-17-7-11(25)3-4-12(15)17/h2-9,25H,1H3,(H,23,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P35 |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin E (unknown origin) |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 (unknown origin) |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267759
(3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-hydroxymet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C23H18N2O5/c1-25-8-16(15-4-2-3-13(10-27)21(15)25)19-20(23(29)24-22(19)28)17-11-30-18-7-12(9-26)5-6-14(17)18/h2-8,11,26-27H,9-10H2,1H3,(H,24,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267758
(3-Benzofuran-3-yl-4-(7-hydroxymethyl-1-methyl-1H-i...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C22H16N2O4/c1-24-9-15(14-7-4-5-12(10-25)20(14)24)18-19(22(27)23-21(18)26)16-11-28-17-8-3-2-6-13(16)17/h2-9,11,25H,10H2,1H3,(H,23,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK3/Cyclin E |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267605
(3-(benzofuran-3-yl)-4-(5-bromo-1-methyl-1H-indol-3...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C21H13BrN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267606
(3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(7-methoxyben...)Show SMILES COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(Br)cc12 |t:13| Show InChI InChI=1S/C22H15BrN2O4/c1-25-9-14(13-8-11(23)6-7-16(13)25)18-19(22(27)24-21(18)26)15-10-29-20-12(15)4-3-5-17(20)28-2/h3-10H,1-2H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of MMP3 |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267801
(3-[3-(4-Benzofuran-3-yl-2,5-dioxo-2,5-dihydro-1H-p...)Show SMILES CCOC(=O)CCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:19| Show InChI InChI=1S/C26H22N2O5/c1-3-32-21(29)12-11-15-7-6-9-17-18(13-28(2)24(15)17)22-23(26(31)27-25(22)30)19-14-33-20-10-5-4-8-16(19)20/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC10 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267678
(3-[4-(6-Hydroxymethylbenzofuran-3-yl)-2,5-dioxo-2,...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(ccc12)C#N |t:4| Show InChI InChI=1S/C23H15N3O4/c1-26-9-16(15-6-12(8-24)3-5-18(15)26)20-21(23(29)25-22(20)28)17-11-30-19-7-13(10-27)2-4-14(17)19/h2-7,9,11,27H,10H2,1H3,(H,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC11 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267367
(3-(benzofuran-3-yl)-4-(6-hydroxy-1-methyl-1H-indol...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccc(O)cc12 |t:4| Show InChI InChI=1S/C21H14N2O4/c1-23-9-14(12-7-6-11(24)8-16(12)23)18-19(21(26)22-20(18)25)15-10-27-17-5-3-2-4-13(15)17/h2-10,24H,1H3,(H,22,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267715
(3-(5-Cyclopropylethynyl-1-methyl-1H-indol-3-yl)-4-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(ccc12)C#CC1CC1 |t:4| Show InChI InChI=1S/C26H17FN2O3/c1-29-12-19(17-10-15(6-8-21(17)29)5-4-14-2-3-14)23-24(26(31)28-25(23)30)20-13-32-22-9-7-16(27)11-18(20)22/h6-14H,2-3H2,1H3,(H,28,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50356635
(CHEMBL1914708)Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1 Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using Fluor de Lys as substrate |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK4/Cyclin D1 |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| 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/h5-12,22H,1-4H3,(H,18,20) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50356639
(CHEMBL1914705)Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2ccc(cc2)N=[N+]=[N-])c1 Show InChI InChI=1S/C18H23N7O3/c19-24-22-15-9-7-14(8-10-15)12-25-13-16(11-20-25)21-17(26)5-3-1-2-4-6-18(27)23-28/h7-11,13,28H,1-6,12H2,(H,21,26)(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3/NCoR2 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267462
(3-(5-Fluoro-1-methyl-1H-indol-3-yl)-4-(6-methoxyme...)Show SMILES COCc1ccc2c(coc2c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccc(F)cc12 |t:14| Show InChI InChI=1S/C23H17FN2O4/c1-26-9-16(15-8-13(24)4-6-18(15)26)20-21(23(28)25-22(20)27)17-11-30-19-7-12(10-29-2)3-5-14(17)19/h3-9,11H,10H2,1-2H3,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267639
(3-(5-Bromo-1-methyl-1H-indol-3-yl)-4-(6-prop-2-yny...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(OCC#C)ccc23)c2cc(Br)ccc12 |t:4| Show InChI InChI=1S/C24H15BrN2O4/c1-3-8-30-14-5-6-15-18(12-31-20(15)10-14)22-21(23(28)26-24(22)29)17-11-27(2)19-7-4-13(25)9-16(17)19/h1,4-7,9-12H,8H2,2H3,(H,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3/NCoR2 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50267759
(3-(6-Hydroxymethylbenzofuran-3-yl)-4-(7-hydroxymet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cccc(CO)c12 |t:4| Show InChI InChI=1S/C23H18N2O5/c1-25-8-16(15-4-2-3-13(10-27)21(15)25)19-20(23(29)24-22(19)28)17-11-30-18-7-12(9-26)5-6-14(17)18/h2-8,11,26-27H,9-10H2,1H3,(H,24,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin E (unknown origin) |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50356639
(CHEMBL1914705)Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2ccc(cc2)N=[N+]=[N-])c1 Show InChI InChI=1S/C18H23N7O3/c19-24-22-15-9-7-14(8-10-15)12-25-13-16(11-20-25)21-17(26)5-3-1-2-4-6-18(27)23-28/h7-11,13,28H,1-6,12H2,(H,21,26)(H,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using Fluor de Lys as substrate |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM2600
((Arylindolyl)maleimide deriv. 22 | 3-(1-benzofuran...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H14N2O3/c1-23-10-14(12-6-2-4-8-16(12)23)18-19(21(25)22-20(18)24)15-11-26-17-9-5-3-7-13(15)17/h2-11H,1H3,(H,22,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267676
(3-Benzofuran-3-yl-4-(5-iodo-1-methyl-1H-indol-3-yl...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2cc(I)ccc12 |t:4| Show InChI InChI=1S/C21H13IN2O3/c1-24-9-14(13-8-11(22)6-7-16(13)24)18-19(21(26)23-20(18)25)15-10-27-17-5-3-2-4-12(15)17/h2-10H,1H3,(H,23,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM50356634
(CHEMBL1914702)Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1 Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins |
J Med Chem 54: 4350-64 (2011)
Article DOI: 10.1021/jm2001025 BindingDB Entry DOI: 10.7270/Q2RX9CG0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50267642
(3-(5-chloro-1-methyl-1H-indol-3-yl)-4-(5-fluoroben...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccc(F)cc23)c2cc(Cl)ccc12 |t:4| Show InChI InChI=1S/C21H12ClFN2O3/c1-25-8-14(12-6-10(22)2-4-16(12)25)18-19(21(27)24-20(18)26)15-9-28-17-5-3-11(23)7-13(15)17/h2-9H,1H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human GSK3-beta by scintillation counting |
J Med Chem 52: 1853-63 (2009)
Article DOI: 10.1021/jm801317h BindingDB Entry DOI: 10.7270/Q24M94FZ |
More data for this Ligand-Target Pair | |