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BDBM50378541 CHEMBL570321

SMILES: CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O

InChI Key: InChIKey=UIPUZDWBISFWKB-NVNXTCNLSA-N

Data: 4 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 = 50378541   
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
Integrin alpha M/beta-2


(Homo sapiens (Human))
BDBM50378541
PNG
(CHEMBL570321)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-13(20)12(7-10)18(24)25/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50378541
PNG
(CHEMBL570321)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-13(20)12(7-10)18(24)25/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
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PubMed
n/an/a<3.16E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting ...


J Med Chem 59: 8757-8770 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01058
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50378541
PNG
(CHEMBL570321)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-13(20)12(7-10)18(24)25/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
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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 assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting ...


J Med Chem 59: 8757-8770 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01058
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50378541
PNG
(CHEMBL570321)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-13(20)12(7-10)18(24)25/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
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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 assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting ...


J Med Chem 59: 8757-8770 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01058
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50378541
PNG
(CHEMBL570321)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-13(20)12(7-10)18(24)25/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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 assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting ...


J Med Chem 59: 8757-8770 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01058
More data for this
Ligand-Target Pair