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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
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 469.5
BDBM622136
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
5
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))
BDBM622136
(US20230312550, Example 96)
Show SMILES
COC[C@H]1[C@H](C)OCCN1c1ccc2nccc(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
0.170
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))
BDBM622136
(US20230312550, Example 96)
Show SMILES
COC[C@H]1[C@H](C)OCCN1c1ccc2nccc(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
880
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))
BDBM622136
(US20230312550, Example 96)
Show SMILES
COC[C@H]1[C@H](C)OCCN1c1ccc2nccc(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
0.0670
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))
BDBM622136
(US20230312550, Example 96)
Show SMILES
COC[C@H]1[C@H](C)OCCN1c1ccc2nccc(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
4.00E+6
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622136
(US20230312550, Example 96)
Show SMILES
COC[C@H]1[C@H](C)OCCN1c1ccc2nccc(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
0.000220
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair