Found 10 hits for monomerid = 25163 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 580 | 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: 3456-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 670 | 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: 3456-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 |
More data for this Ligand-Target Pair | |
Histone Deacetylase 4 (HDAC4) Mutant (H976Y)
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
KEGG
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 87 | 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: 3456-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | 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: 3456-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 89 | 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 HDAC6 |
J Med Chem 52: 6782-9 (2009)
Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 purified from HEK293 cells by western blot |
Bioorg Med Chem Lett 18: 6078-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 580 | 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 HDAC1 |
J Med Chem 52: 6782-9 (2009)
Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8 |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25163
(CHEMBL497332 | N-methyl-N-(quinoxalin-6-ylmethyl)-...)Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S/c1-23(9-10-2-3-11-12(8-10)22-7-6-21-11)16(25)14-5-4-13(26-14)15(24)17(18,19)20/h2-8H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 89 | 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: 3456-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 |
More data for this Ligand-Target Pair | |