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BDBM50169195 (S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-succinic acid::CHEMBL190704::Pro-Asp

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O

InChI Key: InChIKey=GLEOIKLQBZNKJZ-WDSKDSINSA-N

Data: 3 KI  1 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 5 hits for monomerid = 50169195   
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)
BDBM50169195
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-succini...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10E+6n/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)
BDBM50169195
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-succini...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.80E+6n/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)
BDBM50169195
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-succini...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.80E+6n/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)
BDBM50169195
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-succini...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>5.00E+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)

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


(Homo sapiens)
BDBM50169195
PNG
((S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-succini...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.16E+6n/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