Found 6 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 1
(Homo sapiens (Human)) | BDBM50148758
(2-(Quinolin-6-ylcarbamoyl)-octanedioic acid 8-hydr...)Show SMILES ONC(=O)CCCCCC(C(=O)Nc1ccc2ncccc2c1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C27H27N5O4/c33-25(32-36)9-3-1-2-8-22(26(34)30-20-10-12-23-18(16-20)6-4-14-28-23)27(35)31-21-11-13-24-19(17-21)7-5-15-29-24/h4-7,10-17,22,36H,1-3,8-9H2,(H,30,34)(H,31,35)(H,32,33) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Histone deacetylase 1 |
J Med Chem 47: 3409-17 (2004)
Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50148757
(2-[3-(2-Hydroxycarbamoyl-vinyl)-phenyl]-N,N'-diphe...)Show SMILES ONC(=O)\C=C\c1cccc(c1)C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H21N3O4/c28-21(27-31)15-14-17-8-7-9-18(16-17)22(23(29)25-19-10-3-1-4-11-19)24(30)26-20-12-5-2-6-13-20/h1-16,22,31H,(H,25,29)(H,26,30)(H,27,28)/b15-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Histone deacetylase 1 |
J Med Chem 47: 3409-17 (2004)
Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50148759
(CHEMBL323869 | [6-Hydroxycarbamoyl-1-(quinolin-8-y...)Show SMILES ONC(=O)CCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Histone deacetylase 1 |
J Med Chem 47: 3409-17 (2004)
Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2b
(Zea mays) | BDBM50135752
((2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyr...)Show InChI InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibitory activity against maize Histone deacetylase 2 |
J Med Chem 47: 3409-17 (2004)
Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Histone deacetylase 1 |
J Med Chem 47: 3409-17 (2004)
Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Mus musculus (Mouse)) | BDBM50135752
((2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyr...)Show InChI InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 513 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description
Inhibitory activity against mouse Histone deacetylase 1 (HDAC1) |
J Med Chem 47: 3409-17 (2004)
Article DOI: 10.1021/jm0498497
BindingDB Entry DOI: 10.7270/Q2G16085 |
More data for this
Ligand-Target Pair | |
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