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SMILES: CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50568208   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50568208
PNG
(CHEMBL4859998)
Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128168
BindingDB Entry DOI: 10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50568208
PNG
(CHEMBL4859998)
Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128168
BindingDB Entry DOI: 10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50568208
PNG
(CHEMBL4859998)
Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128168
BindingDB Entry DOI: 10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50568208
PNG
(CHEMBL4859998)
Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128168
BindingDB Entry DOI: 10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50568208
PNG
(CHEMBL4859998)
Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128168
BindingDB Entry DOI: 10.7270/Q2QR51V7
More data for this
Ligand-Target Pair