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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
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null
SMILES:
O=C(CNC(=O)c1ccnc2ccc(cc12)-n1cc2CCCCc2n1)N1CSC[C@H]1C#N
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
5
hits for monomerid = 622155
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Presequence protease, mitochondrial
(Homo sapiens (Human))
BDBM622155
(US20230312550, Example 115)
Show SMILES
O=C(CNC(=O)c1ccnc2ccc(cc12)-n1cc2CCCCc2n1)N1CSC[C@H]1C#N |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
130
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))
BDBM622155
(US20230312550, Example 115)
Show SMILES
O=C(CNC(=O)c1ccnc2ccc(cc12)-n1cc2CCCCc2n1)N1CSC[C@H]1C#N |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
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP
(Homo sapiens (Human))
BDBM622155
(US20230312550, Example 115)
Show SMILES
O=C(CNC(=O)c1ccnc2ccc(cc12)-n1cc2CCCCc2n1)N1CSC[C@H]1C#N |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
0.110
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))
BDBM622155
(US20230312550, Example 115)
Show SMILES
O=C(CNC(=O)c1ccnc2ccc(cc12)-n1cc2CCCCc2n1)N1CSC[C@H]1C#N |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
0.0400
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))
BDBM622155
(US20230312550, Example 115)
Show SMILES
O=C(CNC(=O)c1ccnc2ccc(cc12)-n1cc2CCCCc2n1)N1CSC[C@H]1C#N |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
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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