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Target
Sequence
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IC50
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EC50
Rate constants
ΔG°
ΔH°
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null
SMILES:
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC
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
6
hits for monomerid = 50569639
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))
BDBM50569639
(CHEMBL4858081)
Show SMILES
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
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
250
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI:
10.7270/Q2V41004
More data for this
Ligand-Target Pair
Histone deacetylase 2
(Homo sapiens (Human))
BDBM50569639
(CHEMBL4858081)
Show SMILES
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
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
500
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI:
10.7270/Q2V41004
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50569639
(CHEMBL4858081)
Show SMILES
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI:
10.7270/Q2V41004
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8
(Homo sapiens (Human))
BDBM50569639
(CHEMBL4858081)
Show SMILES
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
860
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI:
10.7270/Q2V41004
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human))
BDBM50569639
(CHEMBL4858081)
Show SMILES
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
2.50E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI:
10.7270/Q2V41004
More data for this
Ligand-Target Pair
Histone deacetylase 3
(Homo sapiens (Human))
BDBM50569639
(CHEMBL4858081)
Show SMILES
CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r|
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
360
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI:
10.7270/Q2V41004
More data for this
Ligand-Target Pair
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