Found 7 hits for monomerid = 50004757 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 8
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/s1 | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/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 | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 (unknown origin) |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC11 (unknown origin) |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/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 | 308 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/s1 | 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 | 498 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50004757
(CHEMBL3233698)Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C27H24ClN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/m0/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay |
J Med Chem 57: 3324-41 (2014)
Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8 |
More data for this Ligand-Target Pair | |