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SMILES: C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1

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 7 hits for monomerid = 50597848   
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))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 593n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114090
BindingDB Entry DOI: 10.7270/Q2FF3XCC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.53E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114090
BindingDB Entry DOI: 10.7270/Q2FF3XCC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114090
BindingDB Entry DOI: 10.7270/Q2FF3XCC
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113874
BindingDB Entry DOI: 10.7270/Q2TB1BZK
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114090
BindingDB Entry DOI: 10.7270/Q2FF3XCC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113874
BindingDB Entry DOI: 10.7270/Q2TB1BZK
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50597848
PNG
(CHEMBL5205841)
Show SMILES C[C@@H]1CN(Cc2ccc(cc2)C(=O)NO)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114090
BindingDB Entry DOI: 10.7270/Q2FF3XCC
More data for this
Ligand-Target Pair