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BDBM50169189 (S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic acid::1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic acid::CHEMBL80548::Gly-Pro

SMILES: NCC(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=KZNQNBZMBZJQJO-YFKPBYRVSA-N

Data: 1 KI  4 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 6 hits for monomerid = 50169189   
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))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
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Article
PubMed
3.00E+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)


Article DOI: 10.1021/jm048982w
BindingDB Entry DOI: 10.7270/Q2Q24116
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
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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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
PDB
MMDB

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n/an/a 4.47E+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
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
PDB
MMDB

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n/an/a 4.47E+5n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 3.63E+5n/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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50169189
PNG
((S)-1-(2-Amino-acetyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
PDB

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KEGG

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CHEMBL
MCE
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PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 1.30E+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