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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12
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
6
hits for monomerid = 50570851
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
Aminopeptidase N
(Homo sapiens (Human))
BDBM50570851
(CHEMBL4853049)
Show SMILES
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |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
8.70
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))
BDBM50570851
(CHEMBL4853049)
Show SMILES
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |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
8.60
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 2
(Homo sapiens (Human))
BDBM50570851
(CHEMBL4853049)
Show SMILES
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |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
1.30E+3
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 1
(Homo sapiens (Human))
BDBM50570851
(CHEMBL4853049)
Show SMILES
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |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
330
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))
BDBM50570851
(CHEMBL4853049)
Show SMILES
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |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
1.26E+3
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 1
(Homo sapiens (Human))
BDBM50570851
(CHEMBL4853049)
Show SMILES
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 |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
324
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
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