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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'morrow' and Initial = 'ja'   
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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50236734
PNG
(CHEMBL4071886)
Show SMILES CN(c1cccc(c1)S(C)(=O)=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C20H18N4O2S/c1-24(15-4-3-5-17(12-15)27(2,25)26)16-6-7-19-18(13-16)20(23-22-19)14-8-10-21-11-9-14/h3-13H,1-2H3,(H,22,23)
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n/an/a 44n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant LRRK2 expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by subs...


J Med Chem 60: 2983-2992 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50236735
PNG
(CHEMBL4060479)
Show SMILES Nc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccccc3)cc12
Show InChI InChI=1S/C18H15N5/c19-17-10-12(8-9-20-17)18-15-11-14(6-7-16(15)22-23-18)21-13-4-2-1-3-5-13/h1-11,21H,(H2,19,20)(H,22,23)
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n/an/a 728n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant LRRK2 expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by subs...


J Med Chem 60: 2983-2992 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM257207
PNG
(US9493440, 51)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 60: 2983-2992 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM257207
PNG
(US9493440, 51)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 60: 2983-2992 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM257207
PNG
(US9493440, 51)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 60: 2983-2992 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50094009
PNG
(CHEMBL136800 | CX-516 | Piperidin-1-yl-quinoxalin-...)
Show SMILES O=C(N1CCCCC1)c1ccc2nccnc2c1
Show InChI InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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n/an/an/an/a 1.56E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50094009
PNG
(CHEMBL136800 | CX-516 | Piperidin-1-yl-quinoxalin-...)
Show SMILES O=C(N1CCCCC1)c1ccc2nccnc2c1
Show InChI InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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n/an/an/an/a>1.00E+6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50330411
PNG
(1,2,3,7,8,11a-Hexahydro-6,9,11-trioxa-3a-aza-cyclo...)
Show SMILES O=C1N2CCCC2Oc2cc3OCCOc3cc12
Show InChI InChI=1/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2
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n/an/an/an/a 2.10E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR1 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50094008
PNG
(CHEMBL337047 | N-[2-(2'-Fluoro-biphenyl-4-yl)-prop...)
Show SMILES CC(CNS(C)(=O)=O)c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1/C16H18FNO2S/c1-12(11-18-21(2,19)20)13-7-9-14(10-8-13)15-5-3-4-6-16(15)17/h3-10,12,18H,11H2,1-2H3
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n/an/an/an/a 1.96E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50330413
PNG
((R)-N-(2-phenylpropyl)methanesulfonamide | CHEMBL1...)
Show SMILES C[C@@H](CNS(C)(=O)=O)c1ccccc1
Show InChI InChI=1/C10H15NO2S/c1-9(8-11-14(2,12)13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/s2
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n/an/an/an/a 1.98E+6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR2 flop expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50330414
PNG
(CHEMBL1276217 | N-(2-(4-tert-butylphenyl)propyl)me...)
Show SMILES CC(CNS(C)(=O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C14H23NO2S/c1-11(10-15-18(5,16)17)12-6-8-13(9-7-12)14(2,3)4/h6-9,11,15H,10H2,1-5H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50094018
PNG
(CHEMBL137789 | N-[2-(4-Thiophen-3-yl-phenyl)-propy...)
Show SMILES CC(CNS(C)(=O)=O)c1ccc(cc1)-c1ccsc1
Show InChI InChI=1/C14H17NO2S2/c1-11(9-15-19(2,16)17)12-3-5-13(6-4-12)14-7-8-18-10-14/h3-8,10-11,15H,9H2,1-2H3
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n/an/an/an/a 4.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 290n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50330415
PNG
((R)-N-(2-(4'-(2-(methylsulfonamido)ethyl)biphenyl-...)
Show SMILES CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)-c1ccc(CCNS(C)(=O)=O)cc1
Show InChI InChI=1/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/s2
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50330416
PNG
(CHEMBL1277002 | N-{(R)-2-[4'-((S)-2-Methanesulfony...)
Show SMILES C[C@@H](CNS(C)(=O)=O)c1ccc(cc1)-c1ccc(cc1)[C@H](C)CNS(C)(=O)=O
Show InChI InChI=1/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16+
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n/an/an/an/a 870n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluR4 in cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50330417
PNG
(CHEMBL1277094 | N,N'-(octane-1,8-diyl)dipropane-2-...)
Show SMILES CC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C
Show InChI InChI=1S/C14H32N2O4S2/c1-13(2)21(17,18)15-11-9-7-5-6-8-10-12-16-22(19,20)14(3)4/h13-16H,5-12H2,1-4H3
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n/an/an/an/a 910n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR1 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50330418
PNG
(CHEMBL1276246 | N,N'-(heptane-1,7-diyl)dipropane-2...)
Show SMILES CC(C)S(=O)(=O)NCCCCCCCNS(=O)(=O)C(C)C
Show InChI InChI=1S/C13H30N2O4S2/c1-12(2)20(16,17)14-10-8-6-5-7-9-11-15-21(18,19)13(3)4/h12-15H,5-11H2,1-4H3
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n/an/an/an/a 2.88E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR1 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50330419
PNG
(CHEMBL1277095 | N,N'-(nonane-1,9-diyl)dipropane-2-...)
Show SMILES CC(C)S(=O)(=O)NCCCCCCCCCNS(=O)(=O)C(C)C
Show InChI InChI=1S/C15H34N2O4S2/c1-14(2)22(18,19)16-12-10-8-6-5-7-9-11-13-17-23(20,21)15(3)4/h14-17H,5-13H2,1-4H3
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n/an/an/an/a 660n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR1 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50102263
PNG
(CHEMBL105076 | N-{4-[1-Methyl-2-(propane-2-sulfony...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)
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n/an/an/an/a 520n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50112771
PNG
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Br)cc1
Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 520n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50112770
PNG
((+/-) Propane-2-sulfonic acid [2-(4-iodo-phenyl)-c...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(I)cc1
Show InChI InChI=1S/C14H20INO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR4 expressed in HEK293 cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50330420
PNG
(CHEMBL1277180 | N-((3S,4S)-1-methyl-4-(4'-(N-methy...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CN(C)C[C@@H]1c1ccc(cc1)-c1ccc(cc1)N(C)S(C)(=O)=O
Show InChI InChI=1/C22H31N3O4S2/c1-16(2)31(28,29)23-22-15-24(3)14-21(22)19-8-6-17(7-9-19)18-10-12-20(13-11-18)25(4)30(5,26)27/h6-13,16,21-23H,14-15H2,1-5H3/t21-,22-/s2
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n/an/an/an/a 1.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GluR2


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/s2
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n/an/an/an/a 2.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GluR2


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50330421
PNG
(CHEMBL1277272 | N-(5-(thiophen-3-yl)-2,3-dihydro-1...)
Show SMILES CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccsc1
Show InChI InChI=1/C16H19NO2S2/c1-11(2)21(18,19)17-16-8-13-4-3-12(7-15(13)9-16)14-5-6-20-10-14/h3-7,10-11,16-17H,8-9H2,1-2H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GluR2


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at GluR2 receptor


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 1.66E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR3 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA1


(Homo sapiens (Human))
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 5.65E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR1 expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50094024
PNG
((+/-) Propane-2-sulfonic acid [2-(4'-cyano-bipheny...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3
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n/an/an/an/a 1.44E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GluR2 flop expressed in HEK cells


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50102263
PNG
(CHEMBL105076 | N-{4-[1-Methyl-2-(propane-2-sulfony...)
Show SMILES CC(C)S(=O)(=O)NCC(C)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1/C19H24N2O3S/c1-14(2)25(23,24)20-13-15(3)16-9-11-18(12-10-16)21-19(22)17-7-5-4-6-8-17/h4-12,14-15,20H,13H2,1-3H3,(H,21,22)
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n/an/an/an/a 520n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at GluR2 receptor


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50112771
PNG
((+/-) Propane-2-sulfonic acid [2-(4-bromo-phenyl)-...)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(Br)cc1
Show InChI InChI=1S/C14H20BrNO2S/c1-10(2)19(17,18)16-14-5-3-4-13(14)11-6-8-12(15)9-7-11/h6-10,13-14,16H,3-5H2,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 520n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at GluR2 receptor


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
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
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
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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
3D
3D Structure (crystal)
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
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