Found 65 hits with Last Name = 'neddermann' and Initial = 'p' 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 3
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC3 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 catalytic domain expressed in HEK293 cells by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC3 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19428
((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+ | 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 | 2.60 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 expressed in HEK293 cells by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB
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 | 3.60 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4 [653-1084,H976Y]
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | 7.5 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19428
((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+ | 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 | 8.30 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25142
((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25152
(CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...)Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26) | PDB
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 | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25152
(CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...)Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26) | 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 | 12 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25142
((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4 [653-1084,H976Y]
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
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 | 30 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM25151
(9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...)Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(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 Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50377931
(CHEMBL1791402)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCCC(=O)CC)C(O)=O |r| Show InChI InChI=1S/C34H51N5O7/c1-5-22(3)30(37-31(41)26(35)20-23-21-39(46-4)28-17-11-10-15-25(23)28)33(43)38-19-13-12-18-29(38)32(42)36-27(34(44)45)16-9-7-8-14-24(40)6-2/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20,35H2,1-4H3,(H,36,42)(H,37,41)(H,44,45)/t22-,26+,27+,29-,30+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,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 | 120 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25151
(9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...)Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27) | PDB
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 | 120 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | 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 | 130 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50377931
(CHEMBL1791402)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCCC(=O)CC)C(O)=O |r| Show InChI InChI=1S/C34H51N5O7/c1-5-22(3)30(37-31(41)26(35)20-23-21-39(46-4)28-17-11-10-15-25(23)28)33(43)38-19-13-12-18-29(38)32(42)36-27(34(44)45)16-9-7-8-14-24(40)6-2/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20,35H2,1-4H3,(H,36,42)(H,37,41)(H,44,45)/t22-,26+,27+,29-,30+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4 [653-1084,H976Y]
(Homo sapiens (Human)) | BDBM25151
(9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...)Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.5 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
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 | 400 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human CKIdelta |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((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+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4 [653-1084,H976Y]
(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
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 | 540 | n/a | n/a | n/a | n/a | 7.5 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
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 | 610 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human CKIalpha |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human CKIalpha |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25151
(9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...)Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human CKIdelta |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25151
(9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...)Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27) | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB MMDB
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 | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104 BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this Ligand-Target Pair | |
Histone deacetylase 4 [653-1084,H976Y]
(Homo sapiens (Human)) | BDBM25142
((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | 7.5 | 37 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25142
((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM25142
((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...)Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck
| Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... |
Bioorg Med Chem Lett 18: 1814-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human RSK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB MMDB
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 | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human RSK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description Inhibition of human CK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200 BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this Ligand-Target Pair | |