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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 225.3
BDBM50022752

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aminopeptidase B


(Rattus norvegicus)
BDBM50022752
PNG
((R)-3-Amino-2-mercapto-4-phenyl-butyric acid methy...)
Show SMILES COC(=O)C(S)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(15)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,15H,7,12H2,1H3/t9-,10?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
1.59E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase B


J Med Chem 31: 2193-9 (1988)


BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Homo sapiens (Human))
BDBM50022752
PNG
((R)-3-Amino-2-mercapto-4-phenyl-butyric acid methy...)
Show SMILES COC(=O)C(S)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(15)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,15H,7,12H2,1H3/t9-,10?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
3.00E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Leucine aminopeptidase


J Med Chem 31: 2193-9 (1988)


BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50022752
PNG
((R)-3-Amino-2-mercapto-4-phenyl-butyric acid methy...)
Show SMILES COC(=O)C(S)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(15)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,15H,7,12H2,1H3/t9-,10?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
3.07E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Aminopeptidase M


J Med Chem 31: 2193-9 (1988)


BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase


(Homo sapiens (Human))
BDBM50022752
PNG
((R)-3-Amino-2-mercapto-4-phenyl-butyric acid methy...)
Show SMILES COC(=O)C(S)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(15)9(12)7-8-5-3-2-4-6-8/h2-6,9-10,15H,7,12H2,1H3/t9-,10?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a>2.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Leukotriene A4 hydrolase from human leukocytes


Bioorg Med Chem Lett 1: 551-556 (1991)


Article DOI: 10.1016/S0960-894X(01)80464-9
BindingDB Entry DOI: 10.7270/Q2M32W8B
More data for this
Ligand-Target Pair