BindingDB logo
myBDB logout

Patent code US10137122

Compile Data Set for Download or QSAR

Found 244 hits of Enzyme Inhibition Constant Data   
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 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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H21N3O2/c1-19(2)8-13-17(14(23)9-19)16(12-10-20-22-18(12)21-13)11-6-4-5-7-15(11)24-3/h4-7,10,16H,8-9H2,1-3H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303199
PNG
(US10137122, Compound 72)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@@H]2c1ccccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N3O/c1-18(2)7-11-14(12(30)8-18)13(9-5-3-4-6-10(9)19(21,22)23)15-16(20(24,25)26)28-29-17(15)27-11/h3-6,13H,7-8H2,1-2H3,(H2,27,28,29)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303219
PNG
(US10137122, Compound 90)
Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)C(C)(c12)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N4O2/c1-11-16-19(25-24-11)23-14-9-20(2,3)10-15(26)17(14)21(16,4)13-7-5-6-12(8-13)18(22)27/h5-8H,9-10H2,1-4H3,(H2,22,27)(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H18F3N3O/c1-18(2)8-11-14(12(26)9-18)13(10-6-4-3-5-7-10)15-16(19(20,21)22)24-25-17(15)23-11/h3-7,13H,8-9H2,1-2H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H18F3N3O/c1-18(2)8-11-14(12(26)9-18)13(10-6-4-3-5-7-10)15-16(19(20,21)22)24-25-17(15)23-11/h3-7,13H,8-9H2,1-2H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H16F7N3O/c1-18(2)6-10-13(11(31)7-18)12(8-4-3-5-9(21)15(8)19(22,23)24)14-16(20(25,26)27)29-30-17(14)28-10/h3-5,12H,6-7H2,1-2H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303208
PNG
(US10137122, Compound 83)
Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)C(c12)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O/c1-11-15-17(26-25-11)24-13-9-18(2,3)10-14(27)16(13)19(15,20(21,22)23)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303226
PNG
(US10137122, Compound 104)
Show SMILES COC(=O)c1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)C(C)(c12)c1ccccc1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)10-13-15(14(25)11-20)21(3,12-8-6-5-7-9-12)16-17(19(26)27-4)23-24-18(16)22-13/h5-9H,10-11H2,1-4H3,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C22H24FN3O/c1-21(2)10-15-17(16(27)11-21)22(3,13-6-4-5-7-14(13)23)18-19(12-8-9-12)25-26-20(18)24-15/h4-7,12H,8-11H2,1-3H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H20ClN3O/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H20BrN3O/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H20N4O/c1-11-16-17(13-7-5-4-6-12(13)10-21)18-14(22-19(16)24-23-11)8-20(2,3)9-15(18)25/h4-7,17H,8-9H2,1-3H3,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C21H25N3O2/c1-5-13-19-17(12-8-6-7-9-16(12)26-4)18-14(22-20(19)24-23-13)10-21(2,3)11-15(18)25/h6-9,17H,5,10-11H2,1-4H3,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H17F4N3O/c1-18(2)7-11-14(12(27)8-18)13(9-5-3-4-6-10(9)20)15-16(19(21,22)23)25-26-17(15)24-11/h3-6,13H,7-8H2,1-2H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303201
PNG
(US10137122, Compound 74)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(Br)c1C2c1ccccc1
Show InChI InChI=1S/C18H18BrN3O/c1-18(2)8-11-14(12(23)9-18)13(10-6-4-3-5-7-10)15-16(19)21-22-17(15)20-11/h3-7,13H,8-9H2,1-2H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM60933
PNG
((S)-3,4,7,7-tetramethyl-4-phenyl-2,4,6,7,8,9-hexah...)
Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](C)(c12)c1ccccc1
Show InChI InChI=1S/C20H23N3O/c1-12-16-18(23-22-12)21-14-10-19(2,3)11-15(24)17(14)20(16,4)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H2,21,22,23)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303214
PNG
(US10137122, Compound 93)
Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](c12)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O/c1-11-15-17(26-25-11)24-13-9-18(2,3)10-14(27)16(13)19(15,20(21,22)23)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H2,24,25,26)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303232
PNG
(US10137122, Compound 110)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(Cl)c1C2(C)c1ccccc1
Show InChI InChI=1S/C19H20ClN3O/c1-18(2)9-12-14(13(24)10-18)19(3,11-7-5-4-6-8-11)15-16(20)22-23-17(15)21-12/h4-8H,9-10H2,1-3H3,(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303233
PNG
(US10137122, Compound 111)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(Br)c1C2(C)c1ccccc1
Show InChI InChI=1S/C19H20BrN3O/c1-18(2)9-12-14(13(24)10-18)19(3,11-7-5-4-6-8-11)15-16(20)22-23-17(15)21-12/h4-8H,9-10H2,1-3H3,(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H20N4O/c1-11-16-17(13-7-5-4-6-12(13)10-21)18-14(22-19(16)24-23-11)8-20(2,3)9-15(18)25/h4-7,17H,8-9H2,1-3H3,(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H19N5O2/c1-9-14-15(10-5-4-6-11-17(10)24-26-23-11)16-12(20-18(14)22-21-9)7-19(2,3)8-13(16)25/h4-6,15H,7-8H2,1-3H3,(H2,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H16F7N3O/c1-18(2)6-11-14(12(31)7-18)13(9-5-8(21)3-4-10(9)19(22,23)24)15-16(20(25,26)27)29-30-17(15)28-11/h3-5,13H,6-7H2,1-2H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM303195
PNG
(US10137122, Compound 68)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2(C)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O/c1-18(2)9-12-14(13(27)10-18)19(3,11-7-5-4-6-8-11)15-16(20(21,22)23)25-26-17(15)24-12/h4-8H,9-10H2,1-3H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM188514
PNG
(4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,4,6...)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@]2(C)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O/c1-18(2)9-12-14(13(27)10-18)19(3,11-7-5-4-6-8-11)15-16(20(21,22)23)25-26-17(15)24-12/h4-8H,9-10H2,1-3H3,(H2,24,25,26)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM188515
PNG
((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1
Show InChI InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H20ClN3O/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H23N3OS/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H23N3OS/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C22H27N3O2/c1-12(2)20-19-17(13-8-6-7-9-16(13)27-5)18-14(23-21(19)25-24-20)10-22(3,4)11-15(18)26/h6-9,12,17H,10-11H2,1-5H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H17F6N3O/c1-18(2)7-11-14(12(30)8-18)13(9-5-3-4-6-10(9)19(21,22)23)15-16(20(24,25)26)28-29-17(15)27-11/h3-6,13H,7-8H2,1-2H3,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303195
PNG
(US10137122, Compound 68)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2(C)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O/c1-18(2)9-12-14(13(27)10-18)19(3,11-7-5-4-6-8-11)15-16(20(21,22)23)25-26-17(15)24-12/h4-8H,9-10H2,1-3H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303196
PNG
(US10137122, Compound 69)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2(C)c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C20H19F4N3O/c1-18(2)8-12-14(13(28)9-18)19(3,10-6-4-5-7-11(10)21)15-16(20(22,23)24)26-27-17(15)25-12/h4-7H,8-9H2,1-3H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C23H25F2N3O/c1-21(2)11-15-17(16(29)12-21)22(3,14-7-5-4-6-8-14)18-19(27-28-20(18)26-15)13-9-23(24,25)10-13/h4-8,13H,9-12H2,1-3H3,(H2,26,27,28)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C19H20BrN3O/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)

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
Show InChI InChI=1S/C20H16F7N3O/c1-18(2)6-11-14(12(31)7-18)13(9-5-8(21)3-4-10(9)19(22,23)24)15-16(20(25,26)27)29-30-17(15)28-11/h3-5,13H,6-7H2,1-2H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303203
PNG
(US10137122, Compound 76)
Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1C2c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O/c1-17(2)6-10-13(11(26)7-17)12(9-4-3-5-22-8-9)14-15(18(19,20)21)24-25-16(14)23-10/h3-5,8,12H,6-7H2,1-2H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM303206
PNG
(US10137122, Compound 80)
Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1Br)C(=O)CC(C)(C)C3
Show InChI InChI=1S/C19H20BrN3O/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)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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


Assay Description
A solution of 4 inhibitor (5 μL), 4 substrate/ATP-Metal solution (5 μL), and 2 Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 244 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%