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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'lamont' and Initial = 'y'   
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
GRIA2


(Homo sapiens (Human))
BDBM50417555
PNG
(CHEMBL1642160)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(c3)C(F)(F)F)cc2C1
Show InChI InChI=1/C19H23F3N2O3S/c1-12(2)28(26,27)23-17-6-14-4-3-13(5-15(14)7-17)8-24-9-16(11-25)18(10-24)19(20,21)22/h3-5,9-10,12,17,23,25H,6-8,11H2,1-2H3/t17-/s2
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417089
PNG
(CHEMBL1257768)
Show SMILES CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(=O)NC)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-22-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(28)23-2)11-5-3-4-6-12(11)29-17/h8,22H,3-7,9H2,1-2H3,(H,23,28)(H,24,27)
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n/an/an/an/a 1.58E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417557
PNG
(CHEMBL1642161)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/s2
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n/an/an/an/a 398n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417558
PNG
(CHEMBL1642162)
Show SMILES OCc1cn(Cc2ccc3C[C@@H](Cc3c2)NS(=O)(=O)C(F)(F)F)nc1C(F)(F)F
Show InChI InChI=1/C16H15F6N3O3S/c17-15(18,19)14-12(8-26)7-25(23-14)6-9-1-2-10-4-13(5-11(10)3-9)24-29(27,28)16(20,21)22/h1-3,7,13,24,26H,4-6,8H2/t13-/s2
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n/an/an/an/a 5.01E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417559
PNG
(CHEMBL1642163)
Show SMILES OCc1cn(Cc2ccc3C[C@H](Cc3c2)NS(=O)(=O)C(F)(F)F)nc1C(F)(F)F
Show InChI InChI=1/C16H15F6N3O3S/c17-15(18,19)14-12(8-26)7-25(23-14)6-9-1-2-10-4-13(5-11(10)3-9)24-29(27,28)16(20,21)22/h1-3,7,13,24,26H,4-6,8H2/t13-/s2
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n/an/an/an/a 2.51E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417560
PNG
(CHEMBL1642164)
Show SMILES OCc1cn(Cc2ccc3C[C@H](Cc3c2)NS(=O)(=O)C2CC2)nc1C(F)(F)F
Show InChI InChI=1/C18H20F3N3O3S/c19-18(20,21)17-14(10-25)9-24(22-17)8-11-1-2-12-6-15(7-13(12)5-11)23-28(26,27)16-3-4-16/h1-2,5,9,15-16,23,25H,3-4,6-8,10H2/t15-/s2
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n/an/an/an/a 2.51E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417561
PNG
(CHEMBL1642165)
Show SMILES CN(C)S(=O)(=O)N[C@@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C17H21F3N4O3S/c1-23(2)28(26,27)22-15-6-12-4-3-11(5-13(12)7-15)8-24-9-14(10-25)16(21-24)17(18,19)20/h3-5,9,15,22,25H,6-8,10H2,1-2H3/t15-/s2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417562
PNG
(CHEMBL1642166)
Show SMILES CCS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C17H20F3N3O3S/c1-2-27(25,26)22-15-6-12-4-3-11(5-13(12)7-15)8-23-9-14(10-24)16(21-23)17(18,19)20/h3-5,9,15,22,24H,2,6-8,10H2,1H3/t15-/s2
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n/an/an/an/a 398n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417563
PNG
(CHEMBL1642167)
Show SMILES CS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C16H18F3N3O3S/c1-26(24,25)21-14-5-11-3-2-10(4-12(11)6-14)7-22-8-13(9-23)15(20-22)16(17,18)19/h2-4,8,14,21,23H,5-7,9H2,1H3/t14-/s2
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n/an/an/an/a 7.94E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417564
PNG
(CHEMBL1642168)
Show SMILES CC(C)S(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(n3)C(F)(F)F)ccc12
Show InChI InChI=1/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-4-13-7-12(3-5-15(13)16)8-24-9-14(10-25)17(22-24)18(19,20)21/h3,5,7,9,11,16,23,25H,4,6,8,10H2,1-2H3
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417565
PNG
(CHEMBL1642169)
Show SMILES OCc1cn(Cc2ccc3C(CCc3c2)NS(=O)(=O)C2CC2)nc1C(F)(F)F
Show InChI InChI=1/C18H20F3N3O3S/c19-18(20,21)17-13(10-25)9-24(22-17)8-11-1-5-15-12(7-11)2-6-16(15)23-28(26,27)14-3-4-14/h1,5,7,9,14,16,23,25H,2-4,6,8,10H2
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n/an/an/an/a 158n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417566
PNG
(CHEMBL1642170)
Show SMILES CS(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(n3)C(F)(F)F)ccc12
Show InChI InChI=1/C16H18F3N3O3S/c1-26(24,25)21-14-5-3-11-6-10(2-4-13(11)14)7-22-8-12(9-23)15(20-22)16(17,18)19/h2,4,6,8,14,21,23H,3,5,7,9H2,1H3
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n/an/an/an/a 501n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417567
PNG
(CHEMBL1642171)
Show SMILES COc1ccccc1S(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(n3)C(F)(F)F)ccc12
Show InChI InChI=1/C22H22F3N3O4S/c1-32-19-4-2-3-5-20(19)33(30,31)27-18-9-7-15-10-14(6-8-17(15)18)11-28-12-16(13-29)21(26-28)22(23,24)25/h2-6,8,10,12,18,27,29H,7,9,11,13H2,1H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417568
PNG
(CHEMBL1642172)
Show SMILES Cn1cc(c(n1)C(F)(F)F)S(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(n3)C(F)(F)F)ccc12
Show InChI InChI=1/C20H19F6N5O3S/c1-30-9-16(18(27-30)20(24,25)26)35(33,34)29-15-5-3-12-6-11(2-4-14(12)15)7-31-8-13(10-32)17(28-31)19(21,22)23/h2,4,6,8-9,15,29,32H,3,5,7,10H2,1H3
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n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417569
PNG
(CHEMBL1642150)
Show SMILES NC(=O)c1c2CCCCc2sc1NC(=O)Cn1cc(CO)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O3S/c17-16(18,19)13-8(7-24)5-23(22-13)6-11(25)21-15-12(14(20)26)9-3-1-2-4-10(9)27-15/h5,24H,1-4,6-7H2,(H2,20,26)(H,21,25)
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n/an/an/an/a 398n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50417570
PNG
(CHEMBL1642152)
Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-n1cc(CO)c(n1)C(F)(F)F
Show InChI InChI=1/C17H20F3N3O3S/c1-10(2)27(25,26)22-14-5-11-3-4-15(7-12(11)6-14)23-8-13(9-24)16(21-23)17(18,19)20/h3-4,7-8,10,14,22,24H,5-6,9H2,1-2H3
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n/an/an/an/a>3.16E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417571
PNG
(CHEMBL1232932)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/s2
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n/an/an/an/a 501n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50417572
PNG
(CHEMBL1642153)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CF)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C18H21F4N3O2S/c1-11(2)28(26,27)24-16-6-13-4-3-12(5-14(13)7-16)9-25-10-15(8-19)17(23-25)18(20,21)22/h3-5,10-11,16,24H,6-9H2,1-2H3/t16-/s2
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n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417573
PNG
(CHEMBL1642154)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CCO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1/C19H24F3N3O3S/c1-12(2)29(27,28)24-17-8-14-4-3-13(7-16(14)9-17)10-25-11-15(5-6-26)18(23-25)19(20,21)22/h3-4,7,11-12,17,24,26H,5-6,8-10H2,1-2H3/t17-/s2
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n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417574
PNG
(CHEMBL1642155)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(cc3C(F)(F)F)C(F)(F)F)cc2C1
Show InChI InChI=1/C18H19F6N3O2S/c1-10(2)30(28,29)26-14-6-12-4-3-11(5-13(12)7-14)9-27-16(18(22,23)24)8-15(25-27)17(19,20)21/h3-5,8,10,14,26H,6-7,9H2,1-2H3/t14-/s2
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417575
PNG
(CHEMBL1642156)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(c4CCCCc34)C(F)(F)F)cc2C1
Show InChI InChI=1/C21H26F3N3O2S/c1-13(2)30(28,29)26-17-10-15-8-7-14(9-16(15)11-17)12-27-19-6-4-3-5-18(19)20(25-27)21(22,23)24/h7-9,13,17,26H,3-6,10-12H2,1-2H3/t17-/s2
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n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417576
PNG
(CHEMBL1642157)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(c4CNCCc34)C(F)(F)F)cc2C1
Show InChI InChI=1/C20H25F3N4O2S/c1-12(2)30(28,29)26-16-8-14-4-3-13(7-15(14)9-16)11-27-18-5-6-24-10-17(18)19(25-27)20(21,22)23/h3-4,7,12,16,24,26H,5-6,8-11H2,1-2H3/t16-/s2
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n/an/an/an/a 1.58E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417577
PNG
(CHEMBL1642158)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3ncc(CO)c3C(F)(F)F)cc2C1
Show InChI InChI=1/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)9-24-17(18(19,20)21)15(10-25)8-22-24/h3-5,8,11,16,23,25H,6-7,9-10H2,1-2H3/t16-/s2
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n/an/an/an/a 3.98E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417578
PNG
(CHEMBL1642159)
Show SMILES CCn1nc(cc1Cc1ccc2C[C@@H](Cc2c1)NS(=O)(=O)C(C)C)C(F)(F)F
Show InChI InChI=1/C19H24F3N3O2S/c1-4-25-17(11-18(23-25)19(20,21)22)8-13-5-6-14-9-16(10-15(14)7-13)24-28(26,27)12(2)3/h5-7,11-12,16,24H,4,8-10H2,1-3H3/t16-/s2
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n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417073
PNG
(CHEMBL1234887)
Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27)
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417069
PNG
(CHEMBL1234889)
Show SMILES FC(F)(F)c1nn(CC(=O)Nc2sc3CCCCc3c2C(=O)N[C@@H]2CCNC2)c2CCCCc12
Show InChI InChI=1/C23H28F3N5O2S/c24-23(25,26)20-14-5-1-3-7-16(14)31(30-20)12-18(32)29-22-19(15-6-2-4-8-17(15)34-22)21(33)28-13-9-10-27-11-13/h13,27H,1-12H2,(H,28,33)(H,29,32)/t13-/s2
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n/an/an/an/a 251n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417070
PNG
(CHEMBL1258570)
Show SMILES OCc1c(NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)sc2CCCCc12
Show InChI InChI=1S/C19H22F3N3O2S/c20-19(21,22)17-12-6-1-3-7-14(12)25(24-17)9-16(27)23-18-13(10-26)11-5-2-4-8-15(11)28-18/h26H,1-10H2,(H,23,27)
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n/an/an/an/a 251n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417071
PNG
(CHEMBL1258571)
Show SMILES NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C16H18F3N5O2S/c17-16(18,19)13-8(5-20)6-24(23-13)7-11(25)22-15-12(14(21)26)9-3-1-2-4-10(9)27-15/h6H,1-5,7,20H2,(H2,21,26)(H,22,25)
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417072
PNG
(CHEMBL1258681)
Show SMILES CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C17H20F3N5O2S/c1-22-6-9-7-25(24-14(9)17(18,19)20)8-12(26)23-16-13(15(21)27)10-4-2-3-5-11(10)28-16/h7,22H,2-6,8H2,1H3,(H2,21,27)(H,23,26)
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n/an/an/an/a 126n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417073
PNG
(CHEMBL1234887)
Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-2-23-7-10-8-26(25-15(10)18(19,20)21)9-13(27)24-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8,23H,2-7,9H2,1H3,(H2,22,28)(H,24,27)
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417074
PNG
(CHEMBL1258795)
Show SMILES CN(C)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-25(2)7-10-8-26(24-15(10)18(19,20)21)9-13(27)23-17-14(16(22)28)11-5-3-4-6-12(11)29-17/h8H,3-7,9H2,1-2H3,(H2,22,28)(H,23,27)
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n/an/an/an/a 501n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417075
PNG
(CHEMBL1258796)
Show SMILES CC(C)NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C19H24F3N5O2S/c1-10(2)24-7-11-8-27(26-16(11)19(20,21)22)9-14(28)25-18-15(17(23)29)12-5-3-4-6-13(12)30-18/h8,10,24H,3-7,9H2,1-2H3,(H2,23,29)(H,25,28)
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n/an/an/an/a 3.16E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417076
PNG
(CHEMBL1258915)
Show SMILES COCCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C19H24F3N5O3S/c1-30-7-6-24-8-11-9-27(26-16(11)19(20,21)22)10-14(28)25-18-15(17(23)29)12-4-2-3-5-13(12)31-18/h9,24H,2-8,10H2,1H3,(H2,23,29)(H,25,28)
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n/an/an/an/a 1.58E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417077
PNG
(CHEMBL1257181)
Show SMILES CCN(CC)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C20H26F3N5O2S/c1-3-27(4-2)9-12-10-28(26-17(12)20(21,22)23)11-15(29)25-19-16(18(24)30)13-7-5-6-8-14(13)31-19/h10H,3-9,11H2,1-2H3,(H2,24,30)(H,25,29)
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n/an/an/an/a 631n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417078
PNG
(CHEMBL1258914)
Show SMILES NC(=O)c1c(NC(=O)Cn2cc(CNC3CC3)c(n2)C(F)(F)F)sc2CCCCc12
Show InChI InChI=1S/C19H22F3N5O2S/c20-19(21,22)16-10(7-24-11-5-6-11)8-27(26-16)9-14(28)25-18-15(17(23)29)12-3-1-2-4-13(12)30-18/h8,11,24H,1-7,9H2,(H2,23,29)(H,25,28)
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n/an/an/an/a 631n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417079
PNG
(CHEMBL1257182)
Show SMILES NC(=O)c1c(NC(=O)Cn2cc(CN3CCC3)c(n2)C(F)(F)F)sc2CCCCc12
Show InChI InChI=1S/C19H22F3N5O2S/c20-19(21,22)16-11(8-26-6-3-7-26)9-27(25-16)10-14(28)24-18-15(17(23)29)12-4-1-2-5-13(12)30-18/h9H,1-8,10H2,(H2,23,29)(H,24,28)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417080
PNG
(CHEMBL1234888)
Show SMILES CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
Show InChI InChI=1S/C20H29N5O2S/c1-20(2,3)17-12(9-22-4)10-25(24-17)11-15(26)23-19-16(18(21)27)13-7-5-6-8-14(13)28-19/h10,22H,5-9,11H2,1-4H3,(H2,21,27)(H,23,26)
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n/an/an/an/a 316n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417081
PNG
(CHEMBL1257298)
Show SMILES CN(C)Cc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
Show InChI InChI=1S/C21H31N5O2S/c1-21(2,3)18-13(10-25(4)5)11-26(24-18)12-16(27)23-20-17(19(22)28)14-8-6-7-9-15(14)29-20/h11H,6-10,12H2,1-5H3,(H2,22,28)(H,23,27)
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n/an/an/an/a 316n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417082
PNG
(CHEMBL1257414)
Show SMILES CC(C)(C)c1nn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)cc1CNC1CC1
Show InChI InChI=1S/C22H31N5O2S/c1-22(2,3)19-13(10-24-14-8-9-14)11-27(26-19)12-17(28)25-21-18(20(23)29)15-6-4-5-7-16(15)30-21/h11,14,24H,4-10,12H2,1-3H3,(H2,23,29)(H,25,28)
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n/an/an/an/a 1.58E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417083
PNG
(CHEMBL1257415)
Show SMILES CCNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
Show InChI InChI=1S/C21H31N5O2S/c1-5-23-10-13-11-26(25-18(13)21(2,3)4)12-16(27)24-20-17(19(22)28)14-8-6-7-9-15(14)29-20/h11,23H,5-10,12H2,1-4H3,(H2,22,28)(H,24,27)
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n/an/an/an/a 794n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417084
PNG
(CHEMBL1257527)
Show SMILES CC(C)NCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C
Show InChI InChI=1S/C22H33N5O2S/c1-13(2)24-10-14-11-27(26-19(14)22(3,4)5)12-17(28)25-21-18(20(23)29)15-8-6-7-9-16(15)30-21/h11,13,24H,6-10,12H2,1-5H3,(H2,23,29)(H,25,28)
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n/an/an/an/a 1.58E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417085
PNG
(CHEMBL1257528)
Show SMILES CNCc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C18H22F3N5O2S/c1-23-8-10-9-26(25-15(10)18(19,20)21)7-6-13(27)24-17-14(16(22)28)11-4-2-3-5-12(11)29-17/h9,23H,2-8H2,1H3,(H2,22,28)(H,24,27)
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n/an/an/an/a 1.58E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417086
PNG
(CHEMBL1257645)
Show SMILES CCNCc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C19H24F3N5O2S/c1-2-24-9-11-10-27(26-16(11)19(20,21)22)8-7-14(28)25-18-15(17(23)29)12-5-3-4-6-13(12)30-18/h10,24H,2-9H2,1H3,(H2,23,29)(H,25,28)
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UniChem

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n/an/an/an/a 2.51E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417087
PNG
(CHEMBL1257646)
Show SMILES CCN(CC)Cc1cn(CCC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(F)(F)F
Show InChI InChI=1S/C21H28F3N5O2S/c1-3-28(4-2)11-13-12-29(27-18(13)21(22,23)24)10-9-16(30)26-20-17(19(25)31)14-7-5-6-8-15(14)32-20/h12H,3-11H2,1-2H3,(H2,25,31)(H,26,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50417088
PNG
(CHEMBL1258461)
Show SMILES NC(=O)c1c(NC(=O)Cn2nc(c3CNCCc23)C(F)(F)F)sc2CCCCc12
Show InChI InChI=1S/C18H20F3N5O2S/c19-18(20,21)15-10-7-23-6-5-11(10)26(25-15)8-13(27)24-17-14(16(22)28)9-3-1-2-4-12(9)29-17/h23H,1-8H2,(H2,22,28)(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Positive modulation of GluR1


Bioorg Med Chem Lett 20: 6072-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.063
BindingDB Entry DOI: 10.7270/Q2930VFM
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417556
PNG
(CHEMBL1230591)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cc3ccc(o3)C(F)(F)F)cc2C1
Show InChI InChI=1/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)