Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50020079 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 1
(Homo sapiens (Human)) | BDBM50210141
(CHEMBL388195 | methyl (3S,6S,9S)-9-acetamido-6-[5-...)Show SMILES COC(=O)[C@@H]1Cc2cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N1)c2 Show InChI InChI=1S/C23H32N4O7/c1-14(28)24-18-12-15-7-6-8-16(11-15)13-19(23(32)34-2)26-21(30)17(25-22(18)31)9-4-3-5-10-20(29)27-33/h6-8,11,17-19,33H,3-5,9-10,12-13H2,1-2H3,(H,24,28)(H,25,31)(H,26,30)(H,27,29)/t17-,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
J Med Chem 50: 2003-6 (2007)
Article DOI: 10.1021/jm061082q
BindingDB Entry DOI: 10.7270/Q26M36H1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50210141
(CHEMBL388195 | methyl (3S,6S,9S)-9-acetamido-6-[5-...)Show SMILES COC(=O)[C@@H]1Cc2cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N1)c2 Show InChI InChI=1S/C23H32N4O7/c1-14(28)24-18-12-15-7-6-8-16(11-15)13-19(23(32)34-2)26-21(30)17(25-22(18)31)9-4-3-5-10-20(29)27-33/h6-8,11,17-19,33H,3-5,9-10,12-13H2,1-2H3,(H,24,28)(H,25,31)(H,26,30)(H,27,29)/t17-,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC8 |
J Med Chem 50: 2003-6 (2007)
Article DOI: 10.1021/jm061082q
BindingDB Entry DOI: 10.7270/Q26M36H1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50210141
(CHEMBL388195 | methyl (3S,6S,9S)-9-acetamido-6-[5-...)Show SMILES COC(=O)[C@@H]1Cc2cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N1)c2 Show InChI InChI=1S/C23H32N4O7/c1-14(28)24-18-12-15-7-6-8-16(11-15)13-19(23(32)34-2)26-21(30)17(25-22(18)31)9-4-3-5-10-20(29)27-33/h6-8,11,17-19,33H,3-5,9-10,12-13H2,1-2H3,(H,24,28)(H,25,31)(H,26,30)(H,27,29)/t17-,18-,19-/m0/s1 | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
J Med Chem 50: 2003-6 (2007)
Article DOI: 10.1021/jm061082q
BindingDB Entry DOI: 10.7270/Q26M36H1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50210142
(CHEMBL227663 | methyl (2S)-2-[(2S)-2-[(2S)-2-aceta...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H](C)NC(C)=O Show InChI InChI=1S/C23H34N4O7/c1-15(24-16(2)28)21(30)25-18(12-8-5-9-13-20(29)27-33)22(31)26-19(23(32)34-3)14-17-10-6-4-7-11-17/h4,6-7,10-11,15,18-19,33H,5,8-9,12-14H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)(H,27,29)/t15-,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
J Med Chem 50: 2003-6 (2007)
Article DOI: 10.1021/jm061082q
BindingDB Entry DOI: 10.7270/Q26M36H1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50210141
(CHEMBL388195 | methyl (3S,6S,9S)-9-acetamido-6-[5-...)Show SMILES COC(=O)[C@@H]1Cc2cccc(C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N1)c2 Show InChI InChI=1S/C23H32N4O7/c1-14(28)24-18-12-15-7-6-8-16(11-15)13-19(23(32)34-2)26-21(30)17(25-22(18)31)9-4-3-5-10-20(29)27-33/h6-8,11,17-19,33H,3-5,9-10,12-13H2,1-2H3,(H,24,28)(H,25,31)(H,26,30)(H,27,29)/t17-,18-,19-/m0/s1 | 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 | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC8 |
J Med Chem 50: 2003-6 (2007)
Article DOI: 10.1021/jm061082q
BindingDB Entry DOI: 10.7270/Q26M36H1 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50210140
((2S)-3-(3-{2-[(2S)-2-azaniumyl-7-(hydroxycarbamoyl...)Show SMILES COC(=O)C(Cc1cccc(C[C@H](NC(C)=O)C([O-])=O)c1)NC(=O)[C@@H]([NH3+])CCCCCC(=O)NO Show InChI InChI=1S/C23H34N4O8/c1-14(28)25-18(22(31)32)12-15-7-6-8-16(11-15)13-19(23(33)35-2)26-21(30)17(24)9-4-3-5-10-20(29)27-34/h6-8,11,17-19,34H,3-5,9-10,12-13,24H2,1-2H3,(H,25,28)(H,26,30)(H,27,29)(H,31,32)/t17-,18-,19?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Tech
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 |
J Med Chem 50: 2003-6 (2007)
Article DOI: 10.1021/jm061082q
BindingDB Entry DOI: 10.7270/Q26M36H1 |
More data for this
Ligand-Target Pair | |
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