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Target
Sequence
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&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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85%
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Seq ID
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 449.4
BDBM622066
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
hits in this display
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
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622066
(US20230312550, Example 26)
Show SMILES
FC(F)(F)C1CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
0.100
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622066
(US20230312550, Example 26)
Show SMILES
FC(F)(F)C1CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
0.310
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Presequence protease, mitochondrial
(Homo sapiens (Human))
BDBM622066
(US20230312550, Example 26)
Show SMILES
FC(F)(F)C1CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
580
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622066
(US20230312550, Example 26)
Show SMILES
FC(F)(F)C1CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
n/a
0.0000650
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622066
(US20230312550, Example 26)
Show SMILES
FC(F)(F)C1CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
0.0560
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622066
(US20230312550, Example 26)
Show SMILES
FC(F)(F)C1CN(C1)c1ccc2nccc(C(=O)NCC(=O)N3CSC[C@H]3C#N)c2c1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
n/a
n/a
n/a
1.30E+6
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair