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BDBM50197043 CHEMBL3919821

SMILES: Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O

InChI Key: InChIKey=QJQRXCHCBBAOEI-RGURZIINSA-N

Data: 6 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 = 50197043   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50197043
PNG
(CHEMBL3919821)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
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PC sid
UniChem
Article
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50197043
PNG
(CHEMBL3919821)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50197043
PNG
(CHEMBL3919821)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
PDB

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PC cid
PC sid
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50197043
PNG
(CHEMBL3919821)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50197043
PNG
(CHEMBL3919821)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50197043
PNG
(CHEMBL3919821)
Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)NC([C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O6S/c1-6-3-7(2)5-8(4-6)21(19,20)14-10(12(17)18)9(13)11(15)16/h3-5,9-10,14H,13H2,1-2H3,(H,15,16)(H,17,18)/t9-,10?/m0/s1
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair