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Target
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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50569836'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50569836
(CHEMBL4850926)
Show SMILES
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
21
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human HDAC1 expressed in baculovirus expression system by fluorescence method
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112831
BindingDB Entry DOI:
10.7270/Q2NC64ZS
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50569836
(CHEMBL4850926)
Show SMILES
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
21
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2020.127671
BindingDB Entry DOI:
10.7270/Q2RN3CS0
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50569836
(CHEMBL4850926)
Show SMILES
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
21
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
pA2 for NK2 receptor of rabbit pulmonary artery
Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50569836
(CHEMBL4850926)
Show SMILES
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
21
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50569836
(CHEMBL4850926)
Show SMILES
Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
21
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127829
BindingDB Entry DOI:
10.7270/Q2K07870
More data for this
Ligand-Target Pair
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