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Target
Sequence
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&
Ki
IC50
Kd
EC50
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ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
6
hits Enz. Inhib. hit(s) with Target = 'Serine protease inhibitor A3N'
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
Serine protease inhibitor A3N
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
6.27E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00205
BindingDB Entry DOI:
10.7270/Q23200XB
More data for this
Ligand-Target Pair
Serine protease inhibitor A3N
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
2.60E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00205
BindingDB Entry DOI:
10.7270/Q23200XB
More data for this
Ligand-Target Pair
Serine protease inhibitor A3N
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.12E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00205
BindingDB Entry DOI:
10.7270/Q23200XB
More data for this
Ligand-Target Pair
Serine protease inhibitor A3N
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
8.64E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00205
BindingDB Entry DOI:
10.7270/Q23200XB
More data for this
Ligand-Target Pair
Serine protease inhibitor A3N
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.93E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00205
BindingDB Entry DOI:
10.7270/Q23200XB
More data for this
Ligand-Target Pair
Serine protease inhibitor A3N
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.40E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00205
BindingDB Entry DOI:
10.7270/Q23200XB
More data for this
Ligand-Target Pair
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