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BDBM50188502 (S)-3-Amino-N-carboxymethyl-succinamic acid::Asp-Gly::CHEMBL421171

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

InChI Key: InChIKey=JHFNSBBHKSZXKB-VKHMYHEASA-N

Data: 2 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 5 hits for monomerid = 50188502   
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, kidney isoform


(Rattus norvegicus)
BDBM50188502
PNG
((S)-3-Amino-N-carboxymethyl-succinamic acid | Asp-...)
Show SMILES N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
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Article
PubMed
4.60E+4n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells


Pflugers Arch 440: 679-84 (2000)


Article DOI: 10.1007/s004240000339
BindingDB Entry DOI: 10.7270/Q2CR5X6C
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Rattus norvegicus)
BDBM50188502
PNG
((S)-3-Amino-N-carboxymethyl-succinamic acid | Asp-...)
Show SMILES N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
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KEGG

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PC sid
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Article
PubMed
8.30E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells


Pflugers Arch 440: 679-84 (2000)


Article DOI: 10.1007/s004240000339
BindingDB Entry DOI: 10.7270/Q2CR5X6C
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50188502
PNG
((S)-3-Amino-N-carboxymethyl-succinamic acid | Asp-...)
Show SMILES N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
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Article
PubMed
n/an/a 8.10E+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))
BDBM50188502
PNG
((S)-3-Amino-N-carboxymethyl-succinamic acid | Asp-...)
Show SMILES N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
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Article
PubMed
n/an/an/an/a 4.40E+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))
BDBM50188502
PNG
((S)-3-Amino-N-carboxymethyl-succinamic acid | Asp-...)
Show SMILES N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
PDB
MMDB

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PubMed
n/an/a 1.41E+7n/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