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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
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/
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85%
100%
Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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-TΔS°
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Compile Data Set for Download or QSAR
Found
8
hits with Last Name = 'vanni' and Initial = 's'
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
Major prion protein
(Mus musculus)
BDBM50015214
(6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-me...)
Show SMILES
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Show InChI
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
95
n/a
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
Major prion protein
(Mus musculus)
BDBM50600940
(CHEMBL5081846)
Show SMILES
Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
950
n/a
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
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
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
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
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
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
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
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