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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
4
hits for monomerid = 50594394
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Histone deacetylase 6
(Mus musculus)
BDBM50594394
(CHEMBL5195750)
Show SMILES
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
260
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00081
BindingDB Entry DOI:
10.7270/Q2NG4VP5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50594394
(CHEMBL5195750)
Show SMILES
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.06E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00081
BindingDB Entry DOI:
10.7270/Q2NG4VP5
More data for this
Ligand-Target Pair
Histone deacetylase 4
(Homo sapiens (Human))
BDBM50594394
(CHEMBL5195750)
Show SMILES
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.23E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00081
BindingDB Entry DOI:
10.7270/Q2NG4VP5
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50594394
(CHEMBL5195750)
Show SMILES
CC(N1CCN(Cc2ccc(cc2)C(=O)NO)CC1)c1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00081
BindingDB Entry DOI:
10.7270/Q2NG4VP5
More data for this
Ligand-Target Pair
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