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BDBM50016695 (2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic acid::(S)-2-((S)-2-Amino-propionylamino)-propionic acid::Ala-Ala::CHEMBL17697

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

InChI Key: InChIKey=DEFJQIDDEAULHB-IMJSIDKUSA-N

Data: 4 KI  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 7 hits for monomerid = 50016695   
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
Solute carrier family 15 member 2


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 15 member 2


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human PepT2 in SKTP cells


Bioorg Med Chem 19: 4544-51 (2011)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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7.80E+4n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells


Citation and Details
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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Article
PubMed
1.40E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells


J Med Chem 48: 4410-9 (2005)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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Article
PubMed
n/an/a 2.50E+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)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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Article
PubMed
n/an/an/an/a 8.00E+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)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50016695
PNG
((2S)-2-{[(2S)-2-aminopropanoyl]amino}propanoic aci...)
Show SMILES C[C@H](N)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
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PubMed
n/an/a 6.17E+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


Citation and Details
More data for this
Ligand-Target Pair