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BDBM50188519 CHEMBL89956::Tyr-Gly::[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetic acid

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

InChI Key: InChIKey=HPYDSVWYXXKHRD-VIFPVBQESA-N

Data: 2 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 3 hits for monomerid = 50188519   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188519
PNG
(CHEMBL89956 | Tyr-Gly | [(S)-2-Amino-3-(4-hydroxy-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
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Article
PubMed
n/an/an/an/a 2.40E+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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50188519
PNG
(CHEMBL89956 | Tyr-Gly | [(S)-2-Amino-3-(4-hydroxy-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
PDB
MMDB

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PubMed
n/an/a 2.00E+6n/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))
BDBM50188519
PNG
(CHEMBL89956 | Tyr-Gly | [(S)-2-Amino-3-(4-hydroxy-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
PDB

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KEGG

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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 3.30E+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