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BDBM50188508 (S)-2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-propionic acid::2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL53400::Gly-Tyr

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

InChI Key: InChIKey=XBGGUPMXALFZOT-VIFPVBQESA-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 = 50188508   
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))
BDBM50188508
PNG
((S)-2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 2.09E+11n/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))
BDBM50188508
PNG
((S)-2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
PDB
MMDB

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n/an/a 2.09E+5n/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))
BDBM50188508
PNG
((S)-2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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PubMed
n/an/a 1.20E+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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188508
PNG
((S)-2-(2-Amino-acetylamino)-3-(4-hydroxy-phenyl)-p...)
Show SMILES NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
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PubMed
n/an/an/an/a 1.40E+5n/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