Found 9 hits for monomerid = 25158 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)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 320 | 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)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB
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 | 230 | 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)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
KEGG
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 160 | 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)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 76 | 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)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 360 | 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 (unknown origin) |
Bioorg Med Chem Lett 18: 6083-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of His-tagged HDAC4 catalytic domain (unknown origin) expressed in Escherichia coli |
Bioorg Med Chem Lett 18: 6083-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB
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 | 230 | 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 (unknown origin) |
Bioorg Med Chem Lett 18: 6083-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 320 | 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 (unknown origin) |
Bioorg Med Chem Lett 18: 6083-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM25158
(CHEMBL507716 | N-[(1R)-1-phenylethyl]-5-(2,2,2-tri...)Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 360 | 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 | |