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Target
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IC50
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EC50
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Ki
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null
SMILES:
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CNC(=O)CC(=O)NO)cc2)ncc1F
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
5
hits for monomerid = 50606473
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 1
(Homo sapiens (Human))
BDBM50606473
(CHEMBL5220945)
Show SMILES
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CNC(=O)CC(=O)NO)cc2)ncc1F
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
26
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50606473
(CHEMBL5220945)
Show SMILES
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CNC(=O)CC(=O)NO)cc2)ncc1F
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
5.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM50606473
(CHEMBL5220945)
Show SMILES
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CNC(=O)CC(=O)NO)cc2)ncc1F
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
1.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10
(Homo sapiens (Human))
BDBM50606473
(CHEMBL5220945)
Show SMILES
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CNC(=O)CC(=O)NO)cc2)ncc1F
Show InChI
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
73
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
Histone deacetylase 3
(Homo sapiens (Human))
BDBM50606473
(CHEMBL5220945)
Show SMILES
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(CNC(=O)CC(=O)NO)cc2)ncc1F
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
56
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
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