BindingDB logo
myBDB logout

PubMed code 21873061

Compile data set for download or QSAR
Found 34 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


(Homo sapiens (human))
BDBM50354779
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354765
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354767
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354773
PNG
(CHEMBL1834324)
Show SMILES CC(C)[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354764
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354772
PNG
(CHEMBL1834323)
Show SMILES C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354756
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354753
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354757
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354775
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354778
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354762
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354774
PNG
(CHEMBL1834325)
Show SMILES CC(C)[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354758
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354760
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354777
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354780
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354759
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354769
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354754
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354776
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354752
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354771
PNG
(CHEMBL1834322)
Show SMILES C[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O
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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 560n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354749
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354750
PNG
(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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354747
PNG
(CHEMBL1834331)
Show SMILES Nc1ccc(CCNc2c(F)c(N)c3c(c2F)n(cc(C(O)=O)c3=O)C2CC2)cc1
Show InChI InChI=1S/C21H20F2N4O3/c22-15-17(25)14-19(27(12-5-6-12)9-13(20(14)28)21(29)30)16(23)18(15)26-8-7-10-1-3-11(24)4-2-10/h1-4,9,12,26H,5-8,24-25H2,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354768
PNG
(CHEMBL1834319)
Show SMILES COc1c(NCCNc2ccccn2)c(F)c(N)c2c(O)c(cnc12)C(O)=O
Show InChI InChI=1S/C18H18FN5O4/c1-28-17-14-11(16(25)9(8-24-14)18(26)27)13(20)12(19)15(17)23-7-6-22-10-4-2-3-5-21-10/h2-5,8,23H,6-7,20H2,1H3,(H,21,22)(H,24,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354748
PNG
(CHEMBL1834109)
Show SMILES CC(C)Nc1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C16H17F2N3O3/c1-6(2)20-13-10(17)12(19)9-14(11(13)18)21(7-3-4-7)5-8(15(9)22)16(23)24/h5-7,20H,3-4,19H2,1-2H3,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354766
PNG
(CHEMBL1834317)
Show SMILES COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)C1CCCC1
Show InChI InChI=1S/C23H26FN5O4/c1-33-22-19(28-11-10-27-15-8-4-5-9-26-15)17(24)18(25)16-20(22)29(13-6-2-3-7-13)12-14(21(16)30)23(31)32/h4-5,8-9,12-13,28H,2-3,6-7,10-11,25H2,1H3,(H,26,27)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354751
PNG
(CHEMBL1834112)
Show SMILES Nc1c(F)c(NCCN2CCOCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1
Show InChI InChI=1S/C19H22F2N4O4/c20-13-15(22)12-17(25(10-1-2-10)9-11(18(12)26)19(27)28)14(21)16(13)23-3-4-24-5-7-29-8-6-24/h9-10,23H,1-8,22H2,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354755
PNG
(CHEMBL1834116)
Show SMILES Nc1c(F)c(NCCn2ccnc2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1
Show InChI InChI=1S/C18H17F2N5O3/c19-12-14(21)11-16(13(20)15(12)23-4-6-24-5-3-22-8-24)25(9-1-2-9)7-10(17(11)26)18(27)28/h3,5,7-9,23H,1-2,4,6,21H2,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354770
PNG
(CHEMBL1834321)
Show SMILES COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(CCC(C)C)cc(C(O)=O)c2=O
Show InChI InChI=1S/C23H28FN5O4/c1-13(2)7-11-29-12-14(23(31)32)21(30)16-18(25)17(24)19(22(33-3)20(16)29)28-10-9-27-15-6-4-5-8-26-15/h4-6,8,12-13,28H,7,9-11,25H2,1-3H3,(H,26,27)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354761
PNG
(CHEMBL1834122)
Show SMILES COc1c(NCCCc2ccccc2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C23H23FN2O4/c1-30-22-19(25-11-5-8-14-6-3-2-4-7-14)18(24)12-16-20(22)26(15-9-10-15)13-17(21(16)27)23(28)29/h2-4,6-7,12-13,15,25H,5,8-11H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50354763
PNG
(CHEMBL1834124)
Show SMILES COc1c(NCCNc2cccc3ccccc23)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C26H24FN3O4/c1-34-25-22(29-12-11-28-21-8-4-6-15-5-2-3-7-17(15)21)20(27)13-18-23(25)30(16-9-10-16)14-19(24(18)31)26(32)33/h2-8,13-14,16,28-29H,9-12H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/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
* indicates data uncertainty>20%