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BDBM50252662 (2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid::CHEMBL494878

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

InChI Key: InChIKey=WCFYSXVBDAPIFZ-SFYZADRCSA-N

Data: 3 KI  3 IC50

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 = 50252662   
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
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50252662
PNG
((2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid...)
Show SMILES CCCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50252662
PNG
((2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid...)
Show SMILES CCCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50252662
PNG
((2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid...)
Show SMILES CCCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+6n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50252662
PNG
((2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid...)
Show SMILES CCCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human human EAAT2 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50252662
PNG
((2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid...)
Show SMILES CCCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human human EAAT3 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50252662
PNG
((2S,4R)-4-(3-Propylamino-3-oxopropyl)glutamic acid...)
Show SMILES CCCNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H20N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human EAAT1 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair