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BDBM50188529 2-(2-Amino-acetylamino)-pentanedioic acid::CHEMBL314532::Gly-Glu

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

InChI Key: InChIKey=IEFJWDNGDZAYNZ-BYPYZUCNSA-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 = 50188529   
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


(Oryctolagus cuniculus)
BDBM50188529
PNG
(2-(2-Amino-acetylamino)-pentanedioic acid | CHEMBL...)
Show SMILES NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
MMDB

KEGG

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.40E+6n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE preincubated for 5 mins by spectrophotometric assay


Eur J Med Chem 46: 3428-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.007
BindingDB Entry DOI: 10.7270/Q2DR2VV7
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50188529
PNG
(2-(2-Amino-acetylamino)-pentanedioic acid | CHEMBL...)
Show SMILES NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
PDB
MMDB

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CHEMBL
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PubMed
n/an/a 5.37E+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))
BDBM50188529
PNG
(2-(2-Amino-acetylamino)-pentanedioic acid | CHEMBL...)
Show SMILES NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
PDB

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CHEMBL
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Article
PubMed
n/an/a 6.50E+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)


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))
BDBM50188529
PNG
(2-(2-Amino-acetylamino)-pentanedioic acid | CHEMBL...)
Show SMILES NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.10E+6n/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