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20 similar compounds to monomer 50417078

Compile data set for download or QSAR
Wt: 402.3
BDBM50417569
Wt: 495.5
BDBM50417069
Wt: 401.4
BDBM50417071
Wt: 415.4
BDBM50417072
Wt: 429.4
BDBM50417073
Wt: 429.4
BDBM50417074
Wt: 443.4
BDBM50417075
Wt: 459.4
BDBM50417076
Wt: 457.5
BDBM50417077
Wt: 441.4
BDBM50417079
Wt: 403.5
BDBM50417080
Wt: 417.5
BDBM50417081
Wt: 429.5
BDBM50417082
Wt: 417.5
BDBM50417083
Wt: 431.5
BDBM50417084
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50417569,50417069,50417071,50417072,50417073,50417074,50417075,50417076,50417077,50417079,50417080,50417081,50417082,50417083,50417084   
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
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)
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))
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))
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))
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
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)