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Compile Data Set for Download or QSAR

Found 244 hits Enz. Inhib. hit(s) with all data for entry = 1017   
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
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303237
PNG
(US10137122, Compound 112)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(c1ccccc1)C(F)(F)F |c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303238
PNG
(US10137122, Compound 116)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(C)c1ccccc1F |$;;;;;;;;;N;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303239
PNG
(US10137122, Compound 118)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(C)c1cccc(c1)C(F)(F)F |c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303240
PNG
(US10137122, Compound 117)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(C)c1cccc(c1)C#N |$;;;;;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303241
PNG
(US10137122, Compound 119)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CCC3)c1C2(C)c1ccccc1 |$;;;;;;;;;N;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303243
PNG
(US10137122, Compound 127)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC(F)(F)C3)c1[C@]2(C)c1ccccc1 |r,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188498
PNG
(3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1)C(=O)CC(C)(C)C3 |c:6|
Show InChI InChI=1/C19H21N3O/c1-11-15-16(12-7-5-4-6-8-12)17-13(20-18(15)22-21-11)9-19(2,3)10-14(17)23/h4-8,16H,9-10H2,1-3H3,(H2,20,21,22)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188505
PNG
(4-(2-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hex...)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1F)C(=O)CC(C)(C)C3 |c:6|
Show InChI InChI=1/C19H20FN3O/c1-10-15-16(11-6-4-5-7-12(11)20)17-13(21-18(15)23-22-10)8-19(2,3)9-14(17)24/h4-7,16H,8-9H2,1-3H3,(H2,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188506
PNG
(4-(3-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hex...)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc(F)c1)C(=O)CC(C)(C)C3 |c:6|
Show InChI InChI=1/C19H20FN3O/c1-10-15-16(11-5-4-6-12(20)7-11)17-13(21-18(15)23-22-10)8-19(2,3)9-14(17)24/h4-7,16H,8-9H2,1-3H3,(H2,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303141
PNG
(US10137122, Compound 13)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Cl)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303141
PNG
(US10137122, Compound 13)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Cl)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303142
PNG
(US10137122, Compound 14)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc(Cl)c1)C(=O)CC(C)(C)C3 |c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303144
PNG
(US10137122, Compound 16)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303144
PNG
(US10137122, Compound 16)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188508
PNG
(3,7,7-Trimethyl-4-(o-tolyl)-2,4,6,7,8,9-hexahydro-...)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C)C(=O)CC(C)(C)C3 |c:6|
Show InChI InChI=1/C20H23N3O/c1-11-7-5-6-8-13(11)17-16-12(2)22-23-19(16)21-14-9-20(3,4)10-15(24)18(14)17/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM173196
PNG
(4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-he...)
Show SMILES COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|
Show InChI InChI=1/C20H23N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM173196
PNG
(4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-he...)
Show SMILES COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|
Show InChI InChI=1/C20H23N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188509
PNG
(BRD3937 | US10137122, Compound 22)
Show SMILES COc1ccccc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |r,c:18|
Show InChI InChI=1/C20H23N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)/t17-/s2
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM188509
PNG
(BRD3937 | US10137122, Compound 22)
Show SMILES COc1ccccc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |r,c:18|
Show InChI InChI=1/C20H23N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)/t17-/s2
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303153
PNG
(US10137122, Compound 25)
Show SMILES CSc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303153
PNG
(US10137122, Compound 25)
Show SMILES CSc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303155
PNG
(US10137122, Compound 27)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303155
PNG
(US10137122, Compound 27)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188511
PNG
((S)-3,7,7-Trimethyl-4-(2-(trifluoromethyl)phenyl)-...)
Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |r,c:6|
Show InChI InChI=1/C20H20F3N3O/c1-10-15-16(11-6-4-5-7-12(11)20(21,22)23)17-13(24-18(15)26-25-10)8-19(2,3)9-14(17)27/h4-7,16H,8-9H2,1-3H3,(H2,24,25,26)/t16-/s2
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM188511
PNG
((S)-3,7,7-Trimethyl-4-(2-(trifluoromethyl)phenyl)-...)
Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |r,c:6|
Show InChI InChI=1/C20H20F3N3O/c1-10-15-16(11-6-4-5-7-12(11)20(21,22)23)17-13(24-18(15)26-25-10)8-19(2,3)9-14(17)27/h4-7,16H,8-9H2,1-3H3,(H2,24,25,26)/t16-/s2
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303160
PNG
(US10137122, Compound 32)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C#N)C(=O)CC(C)(C)C3 |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303160
PNG
(US10137122, Compound 32)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C#N)C(=O)CC(C)(C)C3 |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303161
PNG
(US10137122, Compound 33)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc(c1)C#N)C(=O)CC(C)(C)C3 |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303161
PNG
(US10137122, Compound 33)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc(c1)C#N)C(=O)CC(C)(C)C3 |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303169
PNG
(US10137122, Compound 41)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc2nonc12)C(=O)CC(C)(C)C3 |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303169
PNG
(US10137122, Compound 41)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc2nonc12)C(=O)CC(C)(C)C3 |c:6|
PDB
MMDB

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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303174
PNG
(US10137122, Compound 47)
Show SMILES COc1ccccc1C1c2c[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:17|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303175
PNG
(US10137122, Compound 48)
Show SMILES CCc1[nH]nc2NC3=C(C(c12)c1ccccc1OC)C(=O)CC(C)(C)C3 |c:7|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303175
PNG
(US10137122, Compound 48)
Show SMILES CCc1[nH]nc2NC3=C(C(c12)c1ccccc1OC)C(=O)CC(C)(C)C3 |c:7|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303176
PNG
(US10137122, Compound 49)
Show SMILES COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(C)C |c:13|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303179
PNG
(US10137122, Compound 52)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303179
PNG
(US10137122, Compound 52)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM173197
PNG
(US10137122, Compound 53 | US9096594, 54)
Show SMILES COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |c:13|
Show InChI InChI=1/C20H20F3N3O2/c1-19(2)8-11-15(12(27)9-19)14(10-6-4-5-7-13(10)28-3)16-17(20(21,22)23)25-26-18(16)24-11/h4-7,14H,8-9H2,1-3H3,(H2,24,25,26)
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM188512
PNG
((R)-4-(2-methoxyphenyl)-7,7-dimethyl-3-(trifluorom...)
Show SMILES COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |r,c:13|
Show InChI InChI=1/C20H20F3N3O2/c1-19(2)8-11-15(12(27)9-19)14(10-6-4-5-7-13(10)28-3)16-17(20(21,22)23)25-26-18(16)24-11/h4-7,14H,8-9H2,1-3H3,(H2,24,25,26)/t14-/s2
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM188512
PNG
((R)-4-(2-methoxyphenyl)-7,7-dimethyl-3-(trifluorom...)
Show SMILES COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |r,c:13|
Show InChI InChI=1/C20H20F3N3O2/c1-19(2)8-11-15(12(27)9-19)14(10-6-4-5-7-13(10)28-3)16-17(20(21,22)23)25-26-18(16)24-11/h4-7,14H,8-9H2,1-3H3,(H2,24,25,26)/t14-/s2
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303184
PNG
(US10137122, Compound 57)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cccc(OC(F)(F)F)c1)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303185
PNG
(US10137122, Compound 58)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1F)C(F)(F)F |c:6|
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303185
PNG
(US10137122, Compound 58)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303186
PNG
(US10137122, Compound 59)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@@H]2c1c(F)cccc1F)C(F)(F)F |r,c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303189
PNG
(US10137122, Compound 62)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1C(F)(F)F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303189
PNG
(US10137122, Compound 62)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1ccccc1C(F)(F)F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303190
PNG
(US10137122, Compound 63)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cccc(F)c1C(F)(F)F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303190
PNG
(US10137122, Compound 63)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cccc(F)c1C(F)(F)F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303191
PNG
(US10137122, Compound 64)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cc(F)ccc1C(F)(F)F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303191
PNG
(US10137122, Compound 64)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cc(F)ccc1C(F)(F)F)C(F)(F)F |c:6|
PDB
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n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent




US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
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