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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 527.5
BDBM50570849
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
Aminopeptidase N
(Homo sapiens (Human))
BDBM50570849
(CHEMBL4854733)
Show SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128050
BindingDB Entry DOI:
10.7270/Q2445R98
More data for this
Ligand-Target Pair
Aminopeptidase N
(Homo sapiens (Human))
BDBM50570849
(CHEMBL4854733)
Show SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of APN (unknown origin) using A-AMC as substrate
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128050
BindingDB Entry DOI:
10.7270/Q2445R98
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1
(Homo sapiens (Human))
BDBM50570849
(CHEMBL4854733)
Show SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
140
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ERAP1 (unknown origin) using L-AMC as substrate
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128050
BindingDB Entry DOI:
10.7270/Q2445R98
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1
(Homo sapiens (Human))
BDBM50570849
(CHEMBL4854733)
Show SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
141
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ERAP1 (unknown origin) using L-AMC as substrate
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128050
BindingDB Entry DOI:
10.7270/Q2445R98
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2
(Homo sapiens (Human))
BDBM50570849
(CHEMBL4854733)
Show SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
891
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ERAP2 (unknown origin) using R-AMC as substrate
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128050
BindingDB Entry DOI:
10.7270/Q2445R98
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2
(Homo sapiens (Human))
BDBM50570849
(CHEMBL4854733)
Show SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)[C@@H](N)CCc1ccccc1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ERAP2 (unknown origin) using R-AMC as substrate
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128050
BindingDB Entry DOI:
10.7270/Q2445R98
More data for this
Ligand-Target Pair