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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
null
SMILES:
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1
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
18
hits for monomerid = 50593116
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
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 3
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
430
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
875
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 2
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
1.04E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
19
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 7
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 8
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 9
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
461
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
257
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
32
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
32
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
51
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 5
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
Show InChI
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 4
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 3
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
Show InChI
PDB
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
1.03E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
1.53E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
Histone deacetylase 2
(Homo sapiens (Human))
BDBM50593116
(CHEMBL5173493)
Show SMILES
CCNNC(=O)c1ccc(CN2c3ccccc3C=Cc3ccncc23)cc1 |c:19|
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
2.06E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00853
BindingDB Entry DOI:
10.7270/Q2XD15N3
More data for this
Ligand-Target Pair
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