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BDBM50426296 CHEMBL2312396

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

InChI Key: InChIKey=HHHVDWVNPMQYAK-SFYZADRCSA-N

Data: 4 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 7 hits for monomerid = 50426296   
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
Glutamate kainate


(RAT)
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
96n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillati...


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
185n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation cou...


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
PDB
MMDB

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KEGG

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PC sid
UniChem

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Article
PubMed
8.05E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from full length recombinant rat GluKA2(R) receptor expressed in sf9 cells by liquid scintillation counting


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

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UniChem

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Article
PubMed
1.42E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK2(VCR) receptor expressed in sf9 cells by liquid scintillati...


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(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+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(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+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells by [3H]-D-Asp uptake assay


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50426296
PNG
(CHEMBL2312396)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC#C)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H16N2O5/c1-2-5-13-9(14)4-3-7(10(15)16)6-8(12)11(17)18/h1,7-8H,3-6,12H2,(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+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


J Med Chem 56: 1614-28 (2013)


Article DOI: 10.1021/jm301433m
BindingDB Entry DOI: 10.7270/Q23F4R0N
More data for this
Ligand-Target Pair