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BDBM50188523 (S)-2-((S)-2-Amino-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid::Ala-Tyr::CHEMBL94016

SMILES: C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=ALZVPLKYDKJKQU-XVKPBYJWSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50188523   
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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50188523
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-(4-hydroxy-ph...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
PDB
MMDB

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CHEMBL
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 1.91E+10n/an/an/an/an/an/a



Tianjin University

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Eur J Med Chem 84: 100-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.015
BindingDB Entry DOI: 10.7270/Q29025F2
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50188523
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-(4-hydroxy-ph...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
PDB
MMDB

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PubMed
n/an/a 8.71E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Biological activity was measured against Angiotensin I converting enzyme


J Med Chem 38: 2705-13 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4CSN
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188523
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-(4-hydroxy-ph...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
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PubMed
n/an/an/an/a 6.00E+4n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human PEPT1 expressed in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188523
PNG
((S)-2-((S)-2-Amino-propionylamino)-3-(4-hydroxy-ph...)
Show SMILES C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
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Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair