BindingDB logo
myBDB logout

PubMed code 22310227

Compile data set for download or QSAR
Found 89 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))
BDBM50026849
PNG
(CHEMBL1957231)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccn2ccnc2c1
Show InChI InChI=1S/C19H15ClN4O3/c1-26-15-3-2-13(9-14(15)20)18-17(23-11-27-18)19(25)22-10-12-4-6-24-7-5-21-16(24)8-12/h2-9,11H,10H2,1H3,(H,22,25)
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 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026867
PNG
(CHEMBL1957091)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14ClN3O3/c1-23-14-3-2-12(8-13(14)18)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026837
PNG
(CHEMBL1957228)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnnc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-3-2-11(6-12(13)17)15-14(19-9-24-15)16(22)18-7-10-4-5-20-21-8-10/h2-6,8-9H,7H2,1H3,(H,18,22)
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 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026862
PNG
(CHEMBL1957230)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCc1ccncc1
Show InChI InChI=1S/C18H16ClN3O3/c1-24-15-3-2-13(10-14(15)19)17-16(22-11-25-17)18(23)21-9-6-12-4-7-20-8-5-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026830
PNG
(CHEMBL1957102)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O3/c1-24-13-3-2-11(7-12(13)18)16-15(22-9-25-16)17(23)21-8-10-4-5-20-14(19)6-10/h2-7,9H,8H2,1H3,(H,21,23)
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 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026832
PNG
(CHEMBL1957225)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)c1
Show InChI InChI=1S/C18H16ClN3O3/c1-11-7-12(5-6-20-11)9-21-18(23)16-17(25-10-22-16)13-3-4-15(24-2)14(19)8-13/h3-8,10H,9H2,1-2H3,(H,21,23)
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 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026834
PNG
(CHEMBL1957226)
Show SMILES COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1
Show InChI InChI=1S/C18H16ClN3O4/c1-24-14-4-3-12(8-13(14)19)17-16(22-10-26-17)18(23)21-9-11-5-6-20-15(7-11)25-2/h3-8,10H,9H2,1-2H3,(H,21,23)
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 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026850
PNG
(CHEMBL1957092)
Show SMILES COc1ccc(cc1F)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14FN3O3/c1-23-14-3-2-12(8-13(14)18)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026840
PNG
(CHEMBL1957229)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)n1
Show InChI InChI=1S/C17H15ClN4O3/c1-10-19-6-5-12(22-10)8-20-17(23)15-16(25-9-21-15)11-3-4-14(24-2)13(18)7-11/h3-7,9H,8H2,1-2H3,(H,20,23)
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 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026841
PNG
(CHEMBL1957099)
Show SMILES COc1ncc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-16-12(17)6-11(8-20-16)14-13(21-9-24-14)15(22)19-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(H,19,22)
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 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026861
PNG
(CHEMBL1957098)
Show SMILES COc1ccc(cn1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H14N4O3/c1-22-13-3-2-12(9-18-13)15-14(20-10-23-15)16(21)19-8-11-4-6-17-7-5-11/h2-7,9-10H,8H2,1H3,(H,19,21)
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 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026836
PNG
(CHEMBL1957227)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C18H13ClF3N3O3/c1-27-13-3-2-11(7-12(13)19)16-15(25-9-28-16)17(26)24-8-10-4-5-23-14(6-10)18(20,21)22/h2-7,9H,8H2,1H3,(H,24,26)
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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026846
PNG
(CHEMBL1957080)
Show SMILES CNC(=O)c1ccc(CNC(=O)c2ncoc2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C20H19N3O4/c1-21-19(24)15-5-3-13(4-6-15)11-22-20(25)17-18(27-12-23-17)14-7-9-16(26-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25)
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 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026835
PNG
(CHEMBL1957084)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1cccnc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-6-4-13(5-7-14)16-15(20-11-23-16)17(21)19-10-12-3-2-8-18-9-12/h2-9,11H,10H2,1H3,(H,19,21)
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 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026845
PNG
(CHEMBL1957079)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCC1CCC(CC1)C(=O)N(C)C
Show InChI InChI=1S/C21H27N3O4/c1-24(2)21(26)16-6-4-14(5-7-16)12-22-20(25)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,22,25)
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 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026843
PNG
(CHEMBL1957078)
Show SMILES CNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C20H25N3O4/c1-21-19(24)15-5-3-13(4-6-15)11-22-20(25)17-18(27-12-23-17)14-7-9-16(26-2)10-8-14/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,21,24)(H,22,25)
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 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026851
PNG
(CHEMBL1957093)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026842
PNG
(CHEMBL1957100)
Show SMILES COc1ccc(nc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-12-3-2-11(21-15(12)17)14-13(20-9-24-14)16(22)19-8-10-4-6-18-7-5-10/h2-7,9H,8H2,1H3,(H,19,22)
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 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026850
PNG
(CHEMBL1957092)
Show SMILES COc1ccc(cc1F)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14FN3O3/c1-23-14-3-2-12(8-13(14)18)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026867
PNG
(CHEMBL1957091)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14ClN3O3/c1-23-14-3-2-12(8-13(14)18)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026849
PNG
(CHEMBL1957231)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccn2ccnc2c1
Show InChI InChI=1S/C19H15ClN4O3/c1-26-15-3-2-13(9-14(15)20)18-17(23-11-27-18)19(25)22-10-12-4-6-24-7-5-21-16(24)8-12/h2-9,11H,10H2,1H3,(H,22,25)
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 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026837
PNG
(CHEMBL1957228)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnnc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-3-2-11(6-12(13)17)15-14(19-9-24-15)16(22)18-7-10-4-5-20-21-8-10/h2-6,8-9H,7H2,1H3,(H,18,22)
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 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026834
PNG
(CHEMBL1957226)
Show SMILES COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1
Show InChI InChI=1S/C18H16ClN3O4/c1-24-14-4-3-12(8-13(14)19)17-16(22-10-26-17)18(23)21-9-11-5-6-20-15(7-11)25-2/h3-8,10H,9H2,1-2H3,(H,21,23)
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 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026837
PNG
(CHEMBL1957228)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnnc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-3-2-11(6-12(13)17)15-14(19-9-24-15)16(22)18-7-10-4-5-20-21-8-10/h2-6,8-9H,7H2,1H3,(H,18,22)
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 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026830
PNG
(CHEMBL1957102)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O3/c1-24-13-3-2-11(7-12(13)18)16-15(22-9-25-16)17(23)21-8-10-4-5-20-14(19)6-10/h2-7,9H,8H2,1H3,(H,21,23)
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 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026838
PNG
(CHEMBL1957086)
Show SMILES Oc1cccc(c1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13N3O3/c20-13-3-1-2-12(8-13)15-14(19-10-22-15)16(21)18-9-11-4-6-17-7-5-11/h1-8,10,20H,9H2,(H,18,21)
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 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026849
PNG
(CHEMBL1957231)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccn2ccnc2c1
Show InChI InChI=1S/C19H15ClN4O3/c1-26-15-3-2-13(9-14(15)20)18-17(23-11-27-18)19(25)22-10-12-4-6-24-7-5-21-16(24)8-12/h2-9,11H,10H2,1H3,(H,22,25)
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 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026867
PNG
(CHEMBL1957091)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14ClN3O3/c1-23-14-3-2-12(8-13(14)18)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026860
PNG
(CHEMBL1957097)
Show SMILES Clc1cc(ccc1Oc1ccccc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H16ClN3O3/c23-18-12-16(6-7-19(18)29-17-4-2-1-3-5-17)21-20(26-14-28-21)22(27)25-13-15-8-10-24-11-9-15/h1-12,14H,13H2,(H,25,27)
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 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026850
PNG
(CHEMBL1957092)
Show SMILES COc1ccc(cc1F)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14FN3O3/c1-23-14-3-2-12(8-13(14)18)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026831
PNG
(CHEMBL1957082)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H16N2O3/c1-22-15-9-7-14(8-10-15)17-16(20-12-23-17)18(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026832
PNG
(CHEMBL1957225)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)c1
Show InChI InChI=1S/C18H16ClN3O3/c1-11-7-12(5-6-20-11)9-21-18(23)16-17(25-10-22-16)13-3-4-15(24-2)14(19)8-13/h3-8,10H,9H2,1-2H3,(H,21,23)
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 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026856
PNG
(CHEMBL1957095)
Show SMILES COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H18N4O3/c1-28-19-3-2-17(12-18(19)16-6-10-24-11-7-16)21-20(26-14-29-21)22(27)25-13-15-4-8-23-9-5-15/h2-12,14H,13H2,1H3,(H,25,27)
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 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026841
PNG
(CHEMBL1957099)
Show SMILES COc1ncc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-16-12(17)6-11(8-20-16)14-13(21-9-24-14)15(22)19-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(H,19,22)
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 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026836
PNG
(CHEMBL1957227)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C18H13ClF3N3O3/c1-27-13-3-2-11(7-12(13)19)16-15(25-9-28-16)17(26)24-8-10-4-5-23-14(6-10)18(20,21)22/h2-7,9H,8H2,1H3,(H,24,26)
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 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026840
PNG
(CHEMBL1957229)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)n1
Show InChI InChI=1S/C17H15ClN4O3/c1-10-19-6-5-12(22-10)8-20-17(23)15-16(25-9-21-15)11-3-4-14(24-2)13(18)7-11/h3-7,9H,8H2,1-2H3,(H,20,23)
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 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026861
PNG
(CHEMBL1957098)
Show SMILES COc1ccc(cn1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H14N4O3/c1-22-13-3-2-12(9-18-13)15-14(20-10-23-15)16(21)19-8-11-4-6-17-7-5-11/h2-7,9-10H,8H2,1H3,(H,19,21)
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 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026833
PNG
(CHEMBL1957083)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccccn1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-7-5-12(6-8-14)16-15(20-11-23-16)17(21)19-10-13-4-2-3-9-18-13/h2-9,11H,10H2,1H3,(H,19,21)
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 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026862
PNG
(CHEMBL1957230)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCc1ccncc1
Show InChI InChI=1S/C18H16ClN3O3/c1-24-15-3-2-13(10-14(15)19)17-16(22-11-25-17)18(23)21-9-6-12-4-7-20-8-5-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026857
PNG
(CHEMBL1957096)
Show SMILES COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
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 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026832
PNG
(CHEMBL1957225)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)c1
Show InChI InChI=1S/C18H16ClN3O3/c1-11-7-12(5-6-20-11)9-21-18(23)16-17(25-10-22-16)13-3-4-15(24-2)14(19)8-13/h3-8,10H,9H2,1-2H3,(H,21,23)
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 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026865
PNG
(CHEMBL1957089)
Show SMILES COc1cccc(c1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-3-13(9-14)16-15(20-11-23-16)17(21)19-10-12-5-7-18-8-6-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026854
PNG
(CHEMBL1957094)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-9-14(23-2)3-4-15(12)17-16(21-11-24-17)18(22)20-10-13-5-7-19-8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026842
PNG
(CHEMBL1957100)
Show SMILES COc1ccc(nc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-12-3-2-11(21-15(12)17)14-13(20-9-24-14)16(22)19-8-10-4-6-18-7-5-10/h2-7,9H,8H2,1H3,(H,19,22)
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 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026840
PNG
(CHEMBL1957229)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(C)n1
Show InChI InChI=1S/C17H15ClN4O3/c1-10-19-6-5-12(22-10)8-20-17(23)15-16(25-9-21-15)11-3-4-14(24-2)13(18)7-11/h3-7,9H,8H2,1-2H3,(H,20,23)
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 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026864
PNG
(CHEMBL1957088)
Show SMILES O=C(NCc1ccncc1)c1ncoc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C17H12N4O2/c18-9-12-1-3-14(4-2-12)16-15(21-11-23-16)17(22)20-10-13-5-7-19-8-6-13/h1-8,11H,10H2,(H,20,22)
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 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026862
PNG
(CHEMBL1957230)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCCc1ccncc1
Show InChI InChI=1S/C18H16ClN3O3/c1-24-15-3-2-13(10-14(15)19)17-16(22-11-25-17)18(23)21-9-6-12-4-7-20-8-5-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026836
PNG
(CHEMBL1957227)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C18H13ClF3N3O3/c1-27-13-3-2-11(7-12(13)19)16-15(25-9-28-16)17(26)24-8-10-4-5-23-14(6-10)18(20,21)22/h2-7,9H,8H2,1H3,(H,24,26)
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 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026861
PNG
(CHEMBL1957098)
Show SMILES COc1ccc(cn1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H14N4O3/c1-22-13-3-2-12(9-18-13)15-14(20-10-23-15)16(21)19-8-11-4-6-17-7-5-11/h2-7,9-10H,8H2,1H3,(H,19,21)
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 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026830
PNG
(CHEMBL1957102)
Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O3/c1-24-13-3-2-11(7-12(13)18)16-15(22-9-25-16)17(23)21-8-10-4-5-20-14(19)6-10/h2-7,9H,8H2,1H3,(H,21,23)
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 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026841
PNG
(CHEMBL1957099)
Show SMILES COc1ncc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-16-12(17)6-11(8-20-16)14-13(21-9-24-14)15(22)19-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(H,19,22)
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 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026851
PNG
(CHEMBL1957093)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026851
PNG
(CHEMBL1957093)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1
Show InChI InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)
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 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026839
PNG
(CHEMBL1957087)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H12F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)15-14(23-10-25-15)16(24)22-9-11-5-7-21-8-6-11/h1-8,10H,9H2,(H,22,24)
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 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026834
PNG
(CHEMBL1957226)
Show SMILES COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1
Show InChI InChI=1S/C18H16ClN3O4/c1-24-14-4-3-12(8-13(14)19)17-16(22-10-26-17)18(23)21-9-11-5-6-20-15(7-11)25-2/h3-8,10H,9H2,1-2H3,(H,21,23)
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 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026866
PNG
(CHEMBL1957090)
Show SMILES NC(=O)c1cccc(c1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H14N4O3/c18-16(22)13-3-1-2-12(8-13)15-14(21-10-24-15)17(23)20-9-11-4-6-19-7-5-11/h1-8,10H,9H2,(H2,18,22)(H,20,23)
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 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026844
PNG
(CHEMBL1957101)
Show SMILES COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-8-19-12(6-11(13)17)15-14(21-9-24-15)16(22)20-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(H,20,22)
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 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of InsR


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PAK1


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ITK


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ASK1


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50365426
PNG
(CHEMBL1957085)
Show SMILES COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C17H15N3O3/c1-22-14-4-2-13(3-5-14)16-15(20-11-23-16)17(21)19-10-12-6-8-18-9-7-12/h2-9,11H,10H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026842
PNG
(CHEMBL1957100)
Show SMILES COc1ccc(nc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-12-3-2-11(21-15(12)17)14-13(20-9-24-14)16(22)19-8-10-4-6-18-7-5-10/h2-7,9H,8H2,1H3,(H,19,22)
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<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026844
PNG
(CHEMBL1957101)
Show SMILES COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-8-19-12(6-11(13)17)15-14(21-9-24-15)16(22)20-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(H,20,22)
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<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026860
PNG
(CHEMBL1957097)
Show SMILES Clc1cc(ccc1Oc1ccccc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H16ClN3O3/c23-18-12-16(6-7-19(18)29-17-4-2-1-3-5-17)21-20(26-14-28-21)22(27)25-13-15-8-10-24-11-9-15/h1-12,14H,13H2,(H,25,27)
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<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026856
PNG
(CHEMBL1957095)
Show SMILES COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H18N4O3/c1-28-19-3-2-17(12-18(19)16-6-10-24-11-7-16)21-20(26-14-29-21)22(27)25-13-15-4-8-23-9-5-15/h2-12,14H,13H2,1H3,(H,25,27)
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<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026857
PNG
(CHEMBL1957096)
Show SMILES COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
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<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50026854
PNG
(CHEMBL1957094)
Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(C)c1
Show InChI InChI=1S/C18H17N3O3/c1-12-9-14(23-2)3-4-15(12)17-16(21-11-24-17)18(22)20-10-13-5-7-19-8-6-13/h3-9,11H,10H2,1-2H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by AlphaLISA assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026848
PNG
(CHEMBL1957081)
Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2ncoc2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C21H21N3O4/c1-22-20(25)16-6-4-14(5-7-16)12-24(2)21(26)18-19(28-13-23-18)15-8-10-17(27-3)11-9-15/h4-11,13H,12H2,1-3H3,(H,22,25)
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<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by fluorescence polarization assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026857
PNG
(CHEMBL1957096)
Show SMILES COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)
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 3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026860
PNG
(CHEMBL1957097)
Show SMILES Clc1cc(ccc1Oc1ccccc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H16ClN3O3/c23-18-12-16(6-7-19(18)29-17-4-2-1-3-5-17)21-20(26-14-28-21)22(27)25-13-15-8-10-24-11-9-15/h1-12,14H,13H2,(H,25,27)
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 3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026856
PNG
(CHEMBL1957095)
Show SMILES COc1ccc(cc1-c1ccncc1)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C22H18N4O3/c1-28-19-3-2-17(12-18(19)16-6-10-24-11-7-16)21-20(26-14-29-21)22(27)25-13-15-4-8-23-9-5-15/h2-12,14H,13H2,1H3,(H,25,27)
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 3.98E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50026844
PNG
(CHEMBL1957101)
Show SMILES COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1
Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-8-19-12(6-11(13)17)15-14(21-9-24-15)16(22)20-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(H,20,22)
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 6.31E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 1989-94 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.034
BindingDB Entry DOI: 10.7270/Q2ZP46KT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%