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BDBM50282717 1-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoyl]-pyrrolidine-2-carboxylic acid methyl ester::CHEMBL2372318

SMILES: COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1

InChI Key: InChIKey=ZCHNPXDKOIRABB-BZSNNMDCSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50282717   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aminopeptidase N


(Homo sapiens (Human))
BDBM50282717
PNG
(1-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)-4-m...)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C21H31N3O4/c1-14(2)12-17(20(26)24-11-7-10-18(24)21(27)28-3)23-19(25)16(22)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,7,10-13,22H2,1-3H3,(H,23,25)/t16-,17-,18-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 7.93E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopeptidase M.


Bioorg Med Chem Lett 4: 1491-1496 (1994)


Article DOI: 10.1016/S0960-894X(01)80519-9
BindingDB Entry DOI: 10.7270/Q26M37B6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aminopeptidase B


(Mus musculus)
BDBM50282717
PNG
(1-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)-4-m...)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C21H31N3O4/c1-14(2)12-17(20(26)24-11-7-10-18(24)21(27)28-3)23-19(25)16(22)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,7,10-13,22H2,1-3H3,(H,23,25)/t16-,17-,18-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 8.24E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aminopeptidase B in murine L-cells by Aoyagi method.


Bioorg Med Chem Lett 4: 1491-1496 (1994)


Article DOI: 10.1016/S0960-894X(01)80519-9
BindingDB Entry DOI: 10.7270/Q26M37B6
More data for this
Ligand-Target Pair