Found 141 hits with Last Name = 'yumoto' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362508
(CHEMBL1940976)Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C20H19FN6O2/c1-11-10-29-20-17(26-7-6-25-13-4-2-3-5-24-13)15(21)16(23)14-18(20)27(11)9-12(8-22)19(14)28/h2-5,9,11,26H,6-7,10,23H2,1H3,(H,24,25)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362522
(CHEMBL1940990)Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C21H20FN5O2/c1-12-11-29-21-18(26-8-4-6-14-5-2-3-7-25-14)16(22)17(24)15-19(21)27(12)10-13(9-23)20(15)28/h2-3,5,7,10,12,26H,4,6,8,11,24H2,1H3/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362513
(CHEMBL1940981)Show SMILES C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C19H19FN6O2/c1-11-10-28-19-16(23-4-2-6-25-7-3-5-24-25)14(20)15(22)13-17(19)26(11)9-12(8-21)18(13)27/h3,5,7,9,11,23H,2,4,6,10,22H2,1H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362518
(CHEMBL1940986)Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C19H19FN6O2/c1-11-9-28-19-16(24-3-2-5-25-6-4-23-10-25)14(20)15(22)13-17(19)26(11)8-12(7-21)18(13)27/h4,6,8,10-11,24H,2-3,5,9,22H2,1H3/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362511
(CHEMBL1940979)Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C22H21FN4O2/c1-13-12-29-22-19(26-9-5-8-14-6-3-2-4-7-14)17(23)18(25)16-20(22)27(13)11-15(10-24)21(16)28/h2-4,6-7,11,13,26H,5,8-9,12,25H2,1H3/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362521
(CHEMBL1940989)Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O |r| Show InChI InChI=1S/C21H21FN8O2/c1-11-10-32-20-17(25-8-4-6-12-5-2-3-7-24-12)15(22)16(23)14-18(20)30(11)9-13(19(14)31)21-26-28-29-27-21/h2-3,5,7,9,11,25H,4,6,8,10,23H2,1H3,(H,26,27,28,29)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362519
(CHEMBL1940987)Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C21H21FN4O4/c1-11-10-30-20-17(25-8-4-6-12-5-2-3-7-24-12)15(22)16(23)14-18(20)26(11)9-13(19(14)27)21(28)29/h2-3,5,7,9,11,25H,4,6,8,10,23H2,1H3,(H,28,29)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362881
(CHEMBL1940907)Show SMILES CC1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(cc(C(O)=O)c3=O)C11CCC1 Show InChI InChI=1S/C24H26FN5O4/c1-13-12-34-22-19(29-10-9-28-15-5-2-3-8-27-15)17(25)18(26)16-20(22)30(24(13)6-4-7-24)11-14(21(16)31)23(32)33/h2-3,5,8,11,13,29H,4,6-7,9-10,12,26H2,1H3,(H,27,28)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354779
(CHEMBL1834330)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-5-1-4-8-26-14)33-12-23(6-2-3-7-23)29(19)11-13(20(15)30)22(31)32/h1,4-5,8,11,28H,2-3,6-7,9-10,12,25H2,(H,26,27)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354765
(CHEMBL1834315)Show SMILES Nc1c(F)c(NCCNc2ccccn2)cc2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C20H20FN5O3/c21-17-13(23-7-8-25-15-3-1-2-6-24-15)9-14-16(18(17)22)19(27)12(20(28)29)10-26(14)11-4-5-11/h1-3,6,9-11,23H,4-5,7-8,22H2,(H,24,25)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362512
(CHEMBL1940980)Show SMILES C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C19H20FN5O4/c1-10-9-29-18-15(22-4-2-6-24-7-3-5-23-24)13(20)14(21)12-16(18)25(10)8-11(17(12)26)19(27)28/h3,5,7-8,10,22H,2,4,6,9,21H2,1H3,(H,27,28)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362517
(CHEMBL1940985)Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(-c1nnn[nH]1)c3=O |r| Show InChI InChI=1S/C19H20FN9O2/c1-10-8-31-18-15(23-3-2-5-28-6-4-22-9-28)13(20)14(21)12-16(18)29(10)7-11(17(12)30)19-24-26-27-25-19/h4,6-7,9-10,23H,2-3,5,8,21H2,1H3,(H,24,25,26,27)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354767
(CHEMBL1834318)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CCCC1 Show InChI InChI=1S/C22H23F2N5O3/c23-16-18(25)15-20(17(24)19(16)28-10-9-27-14-7-3-4-8-26-14)29(12-5-1-2-6-12)11-13(21(15)30)22(31)32/h3-4,7-8,11-12,28H,1-2,5-6,9-10,25H2,(H,26,27)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50325983
(6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50325983
(6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354764
(CHEMBL1834125)Show SMILES COc1c(NCCNc2cccc3ccccc23)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C26H25FN4O4/c1-35-25-22(30-12-11-29-18-8-4-6-14-5-2-3-7-16(14)18)20(27)21(28)19-23(25)31(15-9-10-15)13-17(24(19)32)26(33)34/h2-8,13,15,29-30H,9-12,28H2,1H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354773
(CHEMBL1834324)Show SMILES CC(C)[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C22H24FN5O4/c1-11(2)13-10-32-21-18(27-8-7-26-14-5-3-4-6-25-14)16(23)17(24)15-19(21)28(13)9-12(20(15)29)22(30)31/h3-6,9,11,13,27H,7-8,10,24H2,1-2H3,(H,25,26)(H,30,31)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362507
(CHEMBL1940900)Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O |r| Show InChI InChI=1S/C20H21FN6O3/c1-10-9-30-19-16(26-7-6-25-12-4-2-3-5-24-12)14(21)15(22)13-17(19)27(10)8-11(18(13)28)20(23)29/h2-5,8,10,26H,6-7,9,22H2,1H3,(H2,23,29)(H,24,25)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362879
(CHEMBL1940905)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)33-11-7-23(5-3-6-23)29(19)12-13(20(15)30)22(31)32/h1-2,4,8,12,28H,3,5-7,9-11,25H2,(H,26,27)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362880
(CHEMBL1940906)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-3-1-2-7-25-13)32-10-6-22(4-5-22)28(18)11-12(19(14)29)21(30)31/h1-3,7,11,27H,4-6,8-10,24H2,(H,25,26)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362509
(CHEMBL1940977)Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C22H22FN3O4/c1-12-11-30-21-18(25-9-5-8-13-6-3-2-4-7-13)16(23)17(24)15-19(21)26(12)10-14(20(15)27)22(28)29/h2-4,6-7,10,12,25H,5,8-9,11,24H2,1H3,(H,28,29)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354772
(CHEMBL1834323)Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C20H20FN5O4/c1-10-9-30-19-16(25-7-6-24-12-4-2-3-5-23-12)14(21)15(22)13-17(19)26(10)8-11(18(13)27)20(28)29/h2-5,8,10,25H,6-7,9,22H2,1H3,(H,23,24)(H,28,29)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354772
(CHEMBL1834323)Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C20H20FN5O4/c1-10-9-30-19-16(25-7-6-24-12-4-2-3-5-23-12)14(21)15(22)13-17(19)26(10)8-11(18(13)27)20(28)29/h2-5,8,10,25H,6-7,9,22H2,1H3,(H,23,24)(H,28,29)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354753
(CHEMBL1834114)Show SMILES Nc1c(F)c(NCCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C22H21F2N3O3/c23-16-18(25)15-20(27(13-8-9-13)11-14(21(15)28)22(29)30)17(24)19(16)26-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,11,13,26H,4,7-10,25H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354756
(CHEMBL1834117)Show SMILES Nc1c(F)c(NCCCn2ccnc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C19H19F2N5O3/c20-13-15(22)12-17(26(10-2-3-10)8-11(18(12)27)19(28)29)14(21)16(13)24-4-1-6-25-7-5-23-9-25/h5,7-10,24H,1-4,6,22H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354757
(CHEMBL1834118)Show SMILES Nc1c(F)c(NCCNc2cccc3ccccc23)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C25H22F2N4O3/c26-19-21(28)18-23(31(14-8-9-14)12-16(24(18)32)25(33)34)20(27)22(19)30-11-10-29-17-7-3-5-13-4-1-2-6-15(13)17/h1-7,12,14,29-30H,8-11,28H2,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354775
(CHEMBL1834326)Show SMILES CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C21H22FN5O4/c1-21(2)10-31-19-16(26-8-7-25-12-5-3-4-6-24-12)14(22)15(23)13-17(19)27(21)9-11(18(13)28)20(29)30/h3-6,9,26H,7-8,10,23H2,1-2H3,(H,24,25)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354778
(CHEMBL1834329)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-4-1-2-7-25-13)32-11-22(5-3-6-22)28(18)10-12(19(14)29)21(30)31/h1-2,4,7,10,27H,3,5-6,8-9,11,24H2,(H,25,26)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354762
(CHEMBL1834123)Show SMILES COc1c(NCCCc2ccccc2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C23H24FN3O4/c1-31-22-19(26-11-5-8-13-6-3-2-4-7-13)17(24)18(25)16-20(22)27(14-9-10-14)12-15(21(16)28)23(29)30/h2-4,6-7,12,14,26H,5,8-11,25H2,1H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362510
(CHEMBL1940978)Show SMILES C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O |r| Show InChI InChI=1S/C22H23FN4O3/c1-12-11-30-21-18(26-9-5-8-13-6-3-2-4-7-13)16(23)17(24)15-19(21)27(12)10-14(20(15)28)22(25)29/h2-4,6-7,10,12,26H,5,8-9,11,24H2,1H3,(H2,25,29)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362520
(CHEMBL1940988)Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C(=N)NO)c3=O |r| Show InChI InChI=1S/C21H23FN6O3/c1-11-10-31-20-17(26-8-4-6-12-5-2-3-7-25-12)15(22)16(23)14-18(20)28(11)9-13(19(14)29)21(24)27-30/h2-3,5,7,9,11,26,30H,4,6,8,10,23H2,1H3,(H2,24,27)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354774
(CHEMBL1834325)Show SMILES CC(C)[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C22H24FN5O4/c1-11(2)13-10-32-21-18(27-8-7-26-14-5-3-4-6-25-14)16(23)17(24)15-19(21)28(13)9-12(20(15)29)22(30)31/h3-6,9,11,13,27H,7-8,10,24H2,1-2H3,(H,25,26)(H,30,31)/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354758
(CHEMBL1834119)Show SMILES Nc1c(F)c(NCCc2ccncc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C20H18F2N4O3/c21-14-16(23)13-18(26(11-1-2-11)9-12(19(13)27)20(28)29)15(22)17(14)25-8-5-10-3-6-24-7-4-10/h3-4,6-7,9,11,25H,1-2,5,8,23H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354760
(CHEMBL1834121)Show SMILES CC(C)OCCCNc1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C19H23F2N3O4/c1-9(2)28-7-3-6-23-16-13(20)15(22)12-17(14(16)21)24(10-4-5-10)8-11(18(12)25)19(26)27/h8-10,23H,3-7,22H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362516
(CHEMBL1940984)Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(=N)NO)c3=O |r| Show InChI InChI=1S/C19H22FN7O3/c1-10-8-30-18-15(24-3-2-5-26-6-4-23-9-26)13(20)14(21)12-16(18)27(10)7-11(17(12)28)19(22)25-29/h4,6-7,9-10,24,29H,2-3,5,8,21H2,1H3,(H2,22,25)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362514
(CHEMBL1940982)Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C19H20FN5O4/c1-10-8-29-18-15(23-3-2-5-24-6-4-22-9-24)13(20)14(21)12-16(18)25(10)7-11(17(12)26)19(27)28/h4,6-7,9-10,23H,2-3,5,8,21H2,1H3,(H,27,28)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354777
(CHEMBL1834328)Show SMILES CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(C1)cc(C(O)=O)c3=O Show InChI InChI=1S/C22H24FN5O4/c1-22(2)10-28-9-12(21(30)31)19(29)14-16(24)15(23)17(20(18(14)28)32-11-22)27-8-7-26-13-5-3-4-6-25-13/h3-6,9,27H,7-8,10-11,24H2,1-2H3,(H,25,26)(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354780
(CHEMBL1834316)Show SMILES COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C21H22FN5O4/c1-31-20-17(26-9-8-25-13-4-2-3-7-24-13)15(22)16(23)14-18(20)27(11-5-6-11)10-12(19(14)28)21(29)30/h2-4,7,10-11,26H,5-6,8-9,23H2,1H3,(H,24,25)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362515
(CHEMBL1940983)Show SMILES C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c2n1cc(C(N)=O)c3=O |r| Show InChI InChI=1S/C19H21FN6O3/c1-10-8-29-18-15(24-3-2-5-25-6-4-23-9-25)13(20)14(21)12-16(18)26(10)7-11(17(12)27)19(22)28/h4,6-7,9-10,24H,2-3,5,8,21H2,1H3,(H2,22,28)/t10-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
Bioorg Med Chem Lett 22: 1005-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.006
BindingDB Entry DOI: 10.7270/Q2930TMF |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354759
(CHEMBL1834120)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C20H19F2N5O3/c21-14-16(23)13-18(27(10-4-5-10)9-11(19(13)28)20(29)30)15(22)17(14)26-8-7-25-12-3-1-2-6-24-12/h1-3,6,9-10,26H,4-5,7-8,23H2,(H,24,25)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362882
(CHEMBL1940908)Show SMILES CC1CC2(CCC2)n2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23 Show InChI InChI=1S/C24H26FN5O4/c1-13-11-24(6-4-7-24)30-12-14(23(32)33)21(31)16-18(26)17(25)19(22(34-13)20(16)30)29-10-9-28-15-5-2-3-8-27-15/h2-3,5,8,12-13,29H,4,6-7,9-11,26H2,1H3,(H,27,28)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362878
(CHEMBL1940904)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C24H26FN5O4/c25-17-18(26)16-20-22(19(17)29-11-10-28-15-5-1-4-9-27-15)34-12-8-24(6-2-3-7-24)30(20)13-14(21(16)31)23(32)33/h1,4-5,9,13,29H,2-3,6-8,10-12,26H2,(H,27,28)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354769
(CHEMBL1834320)Show SMILES COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(C)cc(C(O)=O)c2=O Show InChI InChI=1S/C19H20FN5O4/c1-25-9-10(19(27)28)17(26)12-14(21)13(20)15(18(29-2)16(12)25)24-8-7-23-11-5-3-4-6-22-11/h3-6,9,24H,7-8,21H2,1-2H3,(H,22,23)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354754
(CHEMBL1834115)Show SMILES Nc1c(F)c(NCCCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C23H23F2N3O3/c24-17-19(26)16-21(28(14-9-10-14)12-15(22(16)29)23(30)31)18(25)20(17)27-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,14,27H,4-5,8-11,26H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354776
(CHEMBL1834327)Show SMILES CC1(C)Cn2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23 Show InChI InChI=1S/C21H22FN5O4/c1-21(2)10-27-9-11(20(29)30)18(28)13-15(23)14(22)16(19(31-21)17(13)27)26-8-7-25-12-5-3-4-6-24-12/h3-6,9,26H,7-8,10,23H2,1-2H3,(H,24,25)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354752
(CHEMBL1834113)Show SMILES Nc1c(F)c(NCCc2ccccc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C21H19F2N3O3/c22-15-17(24)14-19(26(12-6-7-12)10-13(20(14)27)21(28)29)16(23)18(15)25-9-8-11-4-2-1-3-5-11/h1-5,10,12,25H,6-9,24H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50362883
(CHEMBL1940909)Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2NCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C23H25FN6O3/c24-16-17(25)15-20-19(18(16)29-11-10-27-14-4-1-2-8-26-14)28-9-7-23(5-3-6-23)30(20)12-13(21(15)31)22(32)33/h1-2,4,8,12,28-29H,3,5-7,9-11,25H2,(H,26,27)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay |
Bioorg Med Chem 20: 1188-200 (2012)
Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354771
(CHEMBL1834322)Show SMILES C[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O |r| Show InChI InChI=1S/C20H20FN5O4/c1-10-9-30-19-16(25-7-6-24-12-4-2-3-5-23-12)14(21)15(22)13-17(19)26(10)8-11(18(13)27)20(28)29/h2-5,8,10,25H,6-7,9,22H2,1H3,(H,23,24)(H,28,29)/t10-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354749
(CHEMBL1834110)Show SMILES Nc1c(F)c(NC2CCCCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C19H21F2N3O3/c20-13-15(22)12-17(14(21)16(13)23-9-4-2-1-3-5-9)24(10-6-7-10)8-11(18(12)25)19(26)27/h8-10,23H,1-7,22H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50354750
(CHEMBL1834111)Show SMILES Nc1c(F)c(NCCc2c[nH]c3ccccc23)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C23H20F2N4O3/c24-17-19(26)16-21(29(12-5-6-12)10-14(22(16)30)23(31)32)18(25)20(17)27-8-7-11-9-28-15-4-2-1-3-13(11)15/h1-4,9-10,12,27-28H,5-8,26H2,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay |
Bioorg Med Chem Lett 21: 5948-51 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.073
BindingDB Entry DOI: 10.7270/Q23T9HMH |
More data for this
Ligand-Target Pair | |
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