Found 4 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)) | BDBM50211062
(3-(hex-5-enyl)-1-{12-[1-(oct-7-enyl)pyridinium-3-y...)Show SMILES C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCCC=C)c2)c1 Show InChI InChI=1S/C36H58N2/c1-3-5-7-9-17-21-29-37-32-24-28-36(34-37)26-20-16-14-12-10-11-13-15-18-22-30-38-31-23-27-35(33-38)25-19-8-6-4-2/h3-4,23-24,27-28,31-34H,1-2,5-22,25-26,29-30H2/q+2 | 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 | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 |
J Med Chem 50: 2497-505 (2007)
Article DOI: 10.1021/jm070028m
BindingDB Entry DOI: 10.7270/Q2FX795K |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50211063
(1-(oct-7-enyl)-3-{12-[3-(pent-4-enyl)pyridinium-1-...)Show SMILES C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCC=C)c2)c1 Show InChI InChI=1S/C35H56N2/c1-3-5-7-8-16-20-28-37-31-23-27-35(33-37)25-19-15-13-11-9-10-12-14-17-21-29-36-30-22-26-34(32-36)24-18-6-4-2/h3-4,22-23,26-27,30-33H,1-2,5-21,24-25,28-29H2/q+2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 |
J Med Chem 50: 2497-505 (2007)
Article DOI: 10.1021/jm070028m
BindingDB Entry DOI: 10.7270/Q2FX795K |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50211063
(1-(oct-7-enyl)-3-{12-[3-(pent-4-enyl)pyridinium-1-...)Show SMILES C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCC=C)c2)c1 Show InChI InChI=1S/C35H56N2/c1-3-5-7-8-16-20-28-37-31-23-27-35(33-37)25-19-15-13-11-9-10-12-14-17-21-29-36-30-22-26-34(32-36)24-18-6-4-2/h3-4,22-23,26-27,30-33H,1-2,5-21,24-25,28-29H2/q+2 | 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 | 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 |
J Med Chem 50: 2497-505 (2007)
Article DOI: 10.1021/jm070028m
BindingDB Entry DOI: 10.7270/Q2FX795K |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50211062
(3-(hex-5-enyl)-1-{12-[1-(oct-7-enyl)pyridinium-3-y...)Show SMILES C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCCC=C)c2)c1 Show InChI InChI=1S/C36H58N2/c1-3-5-7-9-17-21-29-37-32-24-28-36(34-37)26-20-16-14-12-10-11-13-15-18-22-30-38-31-23-27-35(33-38)25-19-8-6-4-2/h3-4,23-24,27-28,31-34H,1-2,5-22,25-26,29-30H2/q+2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 |
J Med Chem 50: 2497-505 (2007)
Article DOI: 10.1021/jm070028m
BindingDB Entry DOI: 10.7270/Q2FX795K |
More data for this
Ligand-Target Pair | |
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