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Compile Data Set for Download or QSAR

Found 697 hits with Last Name = 'roberts' and Initial = 'pj'   
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
Glutamate receptor


(RABBIT)
BDBM50252103
PNG
((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...)
Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1
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0.710n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
Glutamate receptor


(RABBIT)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
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1.41n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor


(RABBIT)
BDBM17660
PNG
((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)
Show SMILES N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
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16.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor


(RABBIT)
BDBM50013055
PNG
(2-aminopentanedioateglutamate | L-Glutamate | glut...)
Show SMILES NC(CCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
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31.1n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50185321
PNG
(6-cyano-7-nitroquinoxaline-2,3-dione | 7-nitro-2,3...)
Show SMILES [O-][N+](=O)c1cc2=NC(=O)C(=O)N=c2cc1C#N |c:11,t:5|
Show InChI InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
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1.05E+3n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor


(RABBIT)
BDBM50289504
PNG
(7-Cyano-3-hydroxy-6-nitro-quinoxalin-2-ol anion | ...)
Show SMILES [O-][N+](=O)c1cc2[n-]c(=[OH+])c(=O)[n-]c2cc1C#N
Show InChI InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H2,11,12,14,15)/p-1
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2.15E+3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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3.28E+3n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate receptor


(RABBIT)
BDBM50002343
PNG
(2-Methylamino-succinic acid | CHEMBL275325 | NMDA)
Show SMILES CNC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
Glutamate receptor


(RABBIT)
BDBM50060635
PNG
((S)-2-Amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-p...)
Show SMILES N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by PDSP Ki Database




Neuropharmacology 36: 1483-8 (1997)


Article DOI: 10.1016/s0028-3908(97)00161-5
BindingDB Entry DOI: 10.7270/Q2C827T6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50207594
PNG
(2,3-Dihydroxy-6-nitro-benzo[f]quinoxaline-7-sulfon...)
Show SMILES NS(=O)(=O)c1cccc2c1c(cc1[nH]c(=O)c(=O)[nH]c21)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
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1.80E+4n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human GLUK7 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178134
PNG
((R)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)p...)
Show SMILES N[C@H](Cn1ccc(=O)n(CCC(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178138
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)p...)
Show SMILES N[C@@H](Cn1ccc(=O)n(CCC(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C10H13N3O6/c11-6(9(17)18)5-12-3-1-7(14)13(10(12)19)4-2-8(15)16/h1,3,6H,2,4-5,11H2,(H,15,16)(H,17,18)/t6-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178135
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)-...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)n(CCC(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C10H12IN3O6/c11-5-3-13(4-6(12)9(18)19)10(20)14(8(5)17)2-1-7(15)16/h3,6H,1-2,4,12H2,(H,15,16)(H,18,19)/t6-/m0/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178147
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)-...)
Show SMILES N[C@@H](Cn1cc([N+]([O-])=O)c(=O)n(CCC(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C10H12N4O8/c11-5(9(18)19)3-12-4-6(14(21)22)8(17)13(10(12)20)2-1-7(15)16/h4-5H,1-3,11H2,(H,15,16)(H,18,19)/t5-/m0/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178146
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H14IN3O6/c16-10-6-18(7-11(17)14(23)24)15(25)19(12(10)20)5-8-1-3-9(4-2-8)13(21)22/h1-4,6,11H,5,7,17H2,(H,21,22)(H,23,24)/t11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178145
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1cc(I)c(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H14IN3O6/c16-10-6-18(7-11(17)14(23)24)15(25)19(12(10)20)5-8-3-1-2-4-9(8)13(21)22/h1-4,6,11H,5,7,17H2,(H,21,22)(H,23,24)/t11-/m0/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178144
PNG
((S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyri...)
Show SMILES N[C@@H](Cn1c(=O)ccn(CC(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C9H11N3O6/c10-5(8(16)17)3-12-6(13)1-2-11(9(12)18)4-7(14)15/h1-2,5H,3-4,10H2,(H,14,15)(H,16,17)/t5-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178149
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-methylpyrimidine-...)
Show SMILES Cn1c(=O)ccn(C[C@H](N)C(O)=O)c1=O
Show InChI InChI=1S/C8H11N3O4/c1-10-6(12)2-3-11(8(10)15)4-5(9)7(13)14/h2-3,5H,4,9H2,1H3,(H,13,14)/t5-/m0/s1
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Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178141
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(4-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3


(Homo sapiens (Human))
BDBM50178148
PNG
((RS)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl...)
Show SMILES NC(Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)
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3.74E+5n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from human GLUK7 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178148
PNG
((RS)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl...)
Show SMILES NC(Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)
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>1.00E+6n/an/an/an/an/an/an/an/a



University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178137
PNG
((R)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m1/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178136
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178139
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(3-carboxypropyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(CCCC(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C11H15N3O6/c12-7(10(18)19)6-13-5-3-8(15)14(11(13)20)4-1-2-9(16)17/h3,5,7H,1-2,4,6,12H2,(H,16,17)(H,18,19)/t7-/m0/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Rattus norvegicus)
BDBM50178142
PNG
((S)-1-(2-amino-2-carboxyethyl)-3-(3-carboxybenzyl)...)
Show SMILES N[C@@H](Cn1ccc(=O)n(Cc2cccc(c2)C(O)=O)c1=O)C(O)=O
Show InChI InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-5-4-12(19)18(15(17)24)7-9-2-1-3-10(6-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
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University Walk

Curated by ChEMBL


Assay Description
Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells


J Med Chem 48: 7867-81 (2005)


Article DOI: 10.1021/jm050584l
BindingDB Entry DOI: 10.7270/Q2V69KCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253965
PNG
(US9464092, EEE | US9527857, EEE)
Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253965
PNG
(US9464092, EEE | US9527857, EEE)
Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.627n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.627n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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n/an/a 0.655n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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n/an/a 0.655n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253957
PNG
(US10189849, Compound 39 | US10927120, Compound 39 ...)
Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C27H34N8O2/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)7-1-2-8-27)31-23-4-3-21(17-28-23)33-9-5-20(6-10-33)34-11-13-37-14-12-34/h3-4,15-17,20H,1-2,5-14,18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253957
PNG
(US10189849, Compound 39 | US10927120, Compound 39 ...)
Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C27H34N8O2/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)7-1-2-8-27)31-23-4-3-21(17-28-23)33-9-5-20(6-10-33)34-11-13-37-14-12-34/h3-4,15-17,20H,1-2,5-14,18H2,(H,30,36)(H,28,29,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253918
PNG
(US9464092, J | US9527857, J)
Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253957
PNG
(US10189849, Compound 39 | US10927120, Compound 39 ...)
Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C27H34N8O2/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)7-1-2-8-27)31-23-4-3-21(17-28-23)33-9-5-20(6-10-33)34-11-13-37-14-12-34/h3-4,15-17,20H,1-2,5-14,18H2,(H,30,36)(H,28,29,31,32)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253918
PNG
(US9464092, J | US9527857, J)
Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....


US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM253918
PNG
(US9464092, J | US9527857, J)
Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
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