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PubMed code 20857912

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328509
PNG
(2-Amino-4-methyl-7-(naphthalen-1-yl)-5-oxo-5,6,7,8...)
Show SMILES CC1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O2/c1-12-17(11-22)21(23)25-19-10-14(9-18(24)20(12)19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17,23H,9-10H2,1H3
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n/an/a 430n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50292997
PNG
(2-Amino-4-(4-methoxyphenyl)-7-(naphthalene-1-yl)-5...)
Show SMILES COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1cccc2ccccc12
Show InChI InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,22,25,29H,13-14H2,1H3
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n/an/a 660n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328508
PNG
(2-Amino-4-(4-methoxyphenyl)-7-(naphthalene-2-yl)-5...)
Show SMILES COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N2O3/c1-31-21-10-8-17(9-11-21)25-22(15-28)27(29)32-24-14-20(13-23(30)26(24)25)19-7-6-16-4-2-3-5-18(16)12-19/h2-12,20,22,25,29H,13-14H2,1H3
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n/an/a 3.20E+3n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328510
PNG
(2-Amino-5-oxo-4,7-diphenyl-5,6,7,8-tetrahydro-4H-c...)
Show SMILES N=C1OC2=C(C(C1C#N)c1ccccc1)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1-10,16-17,20,24H,11-12H2
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n/an/a 3.80E+3n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50292986
PNG
(2-amino-4-(2-fluorophenyl)-5-oxo-7-phenyl-5,6,7,8-...)
Show SMILES Fc1ccccc1C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C22H17FN2O2/c23-17-9-5-4-8-15(17)20-16(12-24)22(25)27-19-11-14(10-18(26)21(19)20)13-6-2-1-3-7-13/h1-9,14,16,20,25H,10-11H2
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n/an/a 4.70E+3n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328507
PNG
(2-Amino-7-benzyl-4-(4-methoxyphenyl)-5-oxo-5,6,7,8...)
Show SMILES COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(Cc1ccccc1)C2
Show InChI InChI=1S/C24H22N2O3/c1-28-18-9-7-17(8-10-18)22-19(14-25)24(26)29-21-13-16(12-20(27)23(21)22)11-15-5-3-2-4-6-15/h2-10,16,19,22,26H,11-13H2,1H3
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n/an/a 5.10E+3n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50292990
PNG
(2-amino-4-methyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro...)
Show SMILES CC1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C17H16N2O2/c1-10-13(9-18)17(19)21-15-8-12(7-14(20)16(10)15)11-5-3-2-4-6-11/h2-6,10,12-13,19H,7-8H2,1H3
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n/an/a 9.20E+3n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328512
PNG
(CHEMBL1259025 | tert-Butyl2-Amino-5-oxo-4,7-diphen...)
Show SMILES CC(C)(C)OC(=O)C1C(C2=C(CC(CC2=O)c2ccccc2)OC1=N)c1ccccc1
Show InChI InChI=1S/C26H27NO4/c1-26(2,3)31-25(29)23-21(17-12-8-5-9-13-17)22-19(28)14-18(15-20(22)30-24(23)27)16-10-6-4-7-11-16/h4-13,18,21,23,27H,14-15H2,1-3H3
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n/an/a>7.50E+4n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328513
PNG
(2-Amino-5-oxo-4,7-diphenyl-5,6,7,8-tetrahydro-4H-c...)
Show SMILES NC(=O)C1C(C2=C(CC(CC2=O)c2ccccc2)OC1=N)c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c23-21(26)20-18(14-9-5-2-6-10-14)19-16(25)11-15(12-17(19)27-22(20)24)13-7-3-1-4-8-13/h1-10,15,18,20,24H,11-12H2,(H2,23,26)
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n/an/a>1.00E+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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328516
PNG
(CHEMBL1259064 | N-(3-Cyano-5-oxo-4,7-diphenyl-5,6,...)
Show SMILES CC(=O)NC1=C(C#N)C(C2=C(CC(CC2=O)c2ccccc2)O1)c1ccccc1
Show InChI InChI=1S/C24H20N2O3/c1-15(27)26-24-19(14-25)22(17-10-6-3-7-11-17)23-20(28)12-18(13-21(23)29-24)16-8-4-2-5-9-16/h2-11,18,22H,12-13H2,1H3,(H,26,27)
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n/an/a>1.00E+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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328517
PNG
(5-oxo-4,7-Diphenyl-5,6,7,8-tetrahydro-4H-chromene-...)
Show SMILES O=C1CC(CC2=C1C(C(=CO2)C#N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17NO2/c23-13-18-14-25-20-12-17(15-7-3-1-4-8-15)11-19(24)22(20)21(18)16-9-5-2-6-10-16/h1-10,14,17,21H,11-12H2
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n/an/a>1.00E+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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328514
PNG
(2-Amino-4,7-diphenyl-7,8-dihydro-4H-chromen-5(6H)-...)
Show SMILES N=C1CC(C2=C(CC(CC2=O)c2ccccc2)O1)c1ccccc1
Show InChI InChI=1S/C21H19NO2/c22-20-13-17(15-9-5-2-6-10-15)21-18(23)11-16(12-19(21)24-20)14-7-3-1-4-8-14/h1-10,16-17,22H,11-13H2
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n/an/a>1.00E+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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328511
PNG
(CHEMBL1259008 | Methyl2-Amino-5-oxo-4,7-diphenyl-5...)
Show SMILES COC(=O)C1C(C2=C(CC(CC2=O)c2ccccc2)OC1=N)c1ccccc1
Show InChI InChI=1S/C23H21NO4/c1-27-23(26)21-19(15-10-6-3-7-11-15)20-17(25)12-16(13-18(20)28-22(21)24)14-8-4-2-5-9-14/h2-11,16,19,21,24H,12-13H2,1H3
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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 EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328520
PNG
(CHEMBL1259099 | syn-2-Amino-5-oxo-4,7-diphenyl-4,5...)
Show SMILES N=C1OC2=C([C@@H](C1C#N)c1ccccc1)C(=O)O[C@H](C2)c1ccccc1
Show InChI InChI=1S/C21H16N2O3/c22-12-15-18(14-9-5-2-6-10-14)19-17(25-20(15)23)11-16(26-21(19)24)13-7-3-1-4-8-13/h1-10,15-16,18,23H,11H2/t15?,16-,18-/m1/s1
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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 EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328521
PNG
(CHEMBL1259100 | anti-2-Amino-5-oxo-4,7-diphenyl-4,...)
Show SMILES N=C1OC2=C([C@@H](C1C#N)c1ccccc1)C(=O)O[C@@H](C2)c1ccccc1
Show InChI InChI=1S/C21H16N2O3/c22-12-15-18(14-9-5-2-6-10-14)19-17(25-20(15)23)11-16(26-21(19)24)13-7-3-1-4-8-13/h1-10,15-16,18,23H,11H2/t15?,16-,18+/m0/s1
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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 EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50292989
PNG
(2-Amino-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chrom...)
Show SMILES N=C1OC2=C(CC1C#N)C(=O)CC(C2)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c17-9-12-6-13-14(19)7-11(8-15(13)20-16(12)18)10-4-2-1-3-5-10/h1-5,11-12,18H,6-8H2
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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 EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328518
PNG
(CHEMBL1259081 | syn-2-amino-5-oxo-4,7-diphenyl-5,6...)
Show SMILES N=C1OC2=C([C@@H](C1C#N)c1ccccc1)C(=O)N[C@H](C2)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c22-12-15-18(14-9-5-2-6-10-14)19-17(26-20(15)23)11-16(24-21(19)25)13-7-3-1-4-8-13/h1-10,15-16,18,23H,11H2,(H,24,25)/t15?,16-,18-/m1/s1
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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 EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50292987
PNG
(2-amino-4-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydr...)
Show SMILES Fc1ccccc1C1C(C#N)C(=N)OC2=C1C(=O)CCC2
Show InChI InChI=1S/C16H13FN2O2/c17-11-5-2-1-4-9(11)14-10(8-18)16(19)21-13-7-3-6-12(20)15(13)14/h1-2,4-5,10,14,19H,3,6-7H2
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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 EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328519
PNG
(CHEMBL1259082 | anti-2-Amino-5-oxo-4,7-diphenyl-5,...)
Show SMILES N=C1OC2=C([C@@H](C1C#N)c1ccccc1)C(=O)N[C@@H](C2)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c22-12-15-18(14-9-5-2-6-10-14)19-17(26-20(15)23)11-16(24-21(19)25)13-7-3-1-4-8-13/h1-10,15-16,18,23H,11H2,(H,24,25)/t15?,16-,18+/m0/s1
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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 by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50292988
PNG
(2-amino-4-(benzo[d][1,3]dioxol-5-yl)-7-methyl-5-ox...)
Show SMILES CC1CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O4/c1-9-4-12(21)17-15(5-9)24-18(20)11(7-19)16(17)10-2-3-13-14(6-10)23-8-22-13/h2-3,6,9,11,16,20H,4-5,8H2,1H3
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Article
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 by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(HUMAN)
BDBM50328515
PNG
((E)-Ethyl N-3-Cyano-5-oxo-4,7-diphenyl-5,6,7,8-tet...)
Show SMILES CCO\C=N\C1=C(C#N)C(C2=C(CC(CC2=O)c2ccccc2)O1)c1ccccc1
Show InChI InChI=1S/C25H22N2O3/c1-2-29-16-27-25-20(15-26)23(18-11-7-4-8-12-18)24-21(28)13-19(14-22(24)30-25)17-9-5-3-6-10-17/h3-12,16,19,23H,2,13-14H2,1H3/b27-16+
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PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/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 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%