Found 16 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472331
(CHEMBL419716)Show InChI InChI=1S/C21H19N3O4/c25-19-6-2-1-5-18(19)24-20(26)17-9-7-15(8-10-17)13-23-21(27)28-14-16-4-3-11-22-12-16/h1-12,25H,13-14H2,(H,23,27)(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472342
(CHEMBL101167)Show SMILES Cc1ccc(N)c(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 Show InChI InChI=1S/C22H22N4O3/c1-15-4-9-19(23)20(11-15)26-21(27)18-7-5-16(6-8-18)13-25-22(28)29-14-17-3-2-10-24-12-17/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472341
(CHEMBL100282)Show SMILES COc1ccc(N)c(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-18-8-9-19(23)20(11-18)26-21(27)17-6-4-15(5-7-17)13-25-22(28)30-14-16-3-2-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472335
(CHEMBL421589)Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H19FN4O3/c22-17-7-8-18(23)19(10-17)26-20(27)16-5-3-14(4-6-16)12-25-21(28)29-13-15-2-1-9-24-11-15/h1-11H,12-13,23H2,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472338
(CHEMBL321283)Show SMILES Nc1ccc(Cl)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H19ClN4O3/c22-17-7-8-18(23)19(10-17)26-20(27)16-5-3-14(4-6-16)12-25-21(28)29-13-15-2-1-9-24-11-15/h1-11H,12-13,23H2,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472339
(CHEMBL319375)Show SMILES Nc1cc(Cl)ccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H19ClN4O3/c22-17-7-8-19(18(23)10-17)26-20(27)16-5-3-14(4-6-16)12-25-21(28)29-13-15-2-1-9-24-11-15/h1-11H,12-13,23H2,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472336
(CHEMBL321105)Show SMILES COc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-18-8-9-20(19(23)11-18)26-21(27)17-6-4-15(5-7-17)13-25-22(28)30-14-16-3-2-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472333
(CHEMBL100925)Show SMILES Nc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-7-9-19(10-8-18)25-20(26)17-5-3-15(4-6-17)13-24-21(27)28-14-16-2-1-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472332
(CHEMBL317252)Show SMILES Cc1ccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c(N)c1 Show InChI InChI=1S/C22H22N4O3/c1-15-4-9-20(19(23)11-15)26-21(27)18-7-5-16(6-8-18)13-25-22(28)29-14-17-3-2-10-24-12-17/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472340
(CHEMBL100631)Show InChI InChI=1S/C21H19N3O3/c25-20(24-19-6-2-1-3-7-19)18-10-8-16(9-11-18)14-23-21(26)27-15-17-5-4-12-22-13-17/h1-13H,14-15H2,(H,23,26)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472337
(CHEMBL99835)Show SMILES CC(=O)Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C23H22N4O4/c1-16(28)26-20-6-2-3-7-21(20)27-22(29)19-10-8-17(9-11-19)14-25-23(30)31-15-18-5-4-12-24-13-18/h2-13H,14-15H2,1H3,(H,25,30)(H,26,28)(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472343
(CHEMBL99737)Show SMILES Nc1cccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 Show InChI InChI=1S/C21H20N4O3/c22-18-4-1-5-19(11-18)25-20(26)17-8-6-15(7-9-17)13-24-21(27)28-14-16-3-2-10-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50472334
(CHEMBL99853)Show SMILES Cc1cccc(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1N Show InChI InChI=1S/C22H22N4O3/c1-15-4-2-6-19(20(15)23)26-21(27)18-9-7-16(8-10-18)13-25-22(28)29-14-17-5-3-11-24-12-17/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50079401
(CHEMBL62381 | Sodium butyrate | Sodium; butyrate |...)Show InChI InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u
BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this
Ligand-Target Pair | |
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