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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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Compile Data Set for Download or QSAR
Found
10
hits Enz. Inhib. hit(s) with all data for entry = 50017218
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
Legumain
(Homo sapiens (Human))
BDBM50600333
(CHEMBL5183094)
Show SMILES
CCOC(=O)C1CCN(CC1)c1cc(ccc1N)N1CCOCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
89
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600329
(CHEMBL5197937)
Show SMILES
Nc1ccc(cc1N1CCSCC1)N1CCOCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
498
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600332
(CHEMBL5194542)
Show SMILES
Nc1ccc(cc1N1CCC2(CC1)OCCO2)N1CCOCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
547
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600334
(CHEMBL5175987)
Show SMILES
Nc1ccc(cc1N1CCSCC1)N1CCSCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
757
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600328
(CHEMBL5185780)
Show SMILES
Nc1ccc(cc1N1CCOCC1)N1CCOCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
844
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
3D Structure (crystal)
Legumain
(Homo sapiens (Human))
BDBM50600335
(CHEMBL5208689)
Show SMILES
CCOC(=O)C1CCN(CC1)c1ccc(N)c(c1)N1CCC(CC1)C(=O)OCC
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.83E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600331
(CHEMBL5175999)
Show SMILES
Nc1ccc(cc1N1CCC[C@H]1CO)N1CCOCC1 |r|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600337
(CHEMBL5185358)
Show SMILES
Nc1ccc(cc1Cl)N1CCSCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600336
(CHEMBL5194228)
Show SMILES
Nc1ccc(cc1Cl)N1CCOCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
Legumain
(Homo sapiens (Human))
BDBM50600330
(CHEMBL5186940)
Show SMILES
Nc1ccc(cc1N1CCCC1)N1CCOCC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116746
BindingDB Entry DOI:
10.7270/Q2QZ2G1S
More data for this
Ligand-Target Pair
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