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Compile Data Set for Download or QSAR

Found 443 hits with Last Name = 'bax' and Initial = 'b'   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50172920
PNG
(3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)
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n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by high throughput screening

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50172920
PNG
(3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by high throughput screening

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
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)
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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))		BDBM50418989
PNG
(CHEMBL1809113)
Show SMILES Fc1ccc(cc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1)C#N
Show InChI InChI=1S/C19H10FN3OS/c20-16-2-1-11(9-21)7-13(16)15-10-23-19(24)14-8-17(25-18(14)15)12-3-5-22-6-4-12/h1-8,10H,(H,23,24)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418990
PNG
(CHEMBL1809114)
Show SMILES O=c1[nH]cc(-c2ccc3OCCOc3c2)c2sc(cc12)-c1ccncc1
Show InChI InChI=1S/C20H14N2O3S/c23-20-14-10-18(12-3-5-21-6-4-12)26-19(14)15(11-22-20)13-1-2-16-17(9-13)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,22,23)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50178832
PNG
(CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...)
Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1
Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by high throughput screening

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418991
PNG
(CHEMBL1809115)
Show SMILES O=c1[nH]cc(-c2cccc(CC#N)c2)c2sc(cc12)-c1ccncc1
Show InChI InChI=1S/C20H13N3OS/c21-7-4-13-2-1-3-15(10-13)17-12-23-20(24)16-11-18(25-19(16)17)14-5-8-22-9-6-14/h1-3,5-6,8-12H,4H2,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418992
PNG
(CHEMBL1809116)
Show SMILES Clc1cccc(n1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C17H10ClN3OS/c18-15-3-1-2-13(21-15)12-9-20-17(22)11-8-14(23-16(11)12)10-4-6-19-7-5-10/h1-9H,(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418987
PNG
(CHEMBL1809110)
Show SMILES O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N4O2S/c25-20-16-9-18(14-10-22-23-11-14)27-19(16)17(12-21-20)13-1-3-15(4-2-13)24-5-7-26-8-6-24/h1-4,9-12H,5-8H2,(H,21,25)(H,22,23)
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human full length His-tagged GSK3-beta expressed in baculovirus by alphaLISA assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418998
PNG
(CHEMBL1809117)
Show SMILES O=c1[nH]cc(-c2cscc2C#N)c2sc(cc12)-c1ccncc1
Show InChI InChI=1S/C17H9N3OS2/c18-6-11-8-22-9-14(11)13-7-20-17(21)12-5-15(23-16(12)13)10-1-3-19-4-2-10/h1-5,7-9H,(H,20,21)
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
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)
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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))		BDBM50418986
PNG
(CHEMBL1809109)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1c[nH]c(=O)c2cc(sc12)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H16N4O3S2/c1-30(27,28)25-13-4-2-3-12(9-13)17-11-24-21(26)16-10-18(29-19(16)17)14-5-7-22-20-15(14)6-8-23-20/h2-11,25H,1H3,(H,22,23)(H,24,26)
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human full length His-tagged GSK3-beta expressed in baculovirus by alphaLISA assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
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)
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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)
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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))		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)
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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))		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)
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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)
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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))		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)
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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
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50510295
PNG
(CHEMBL4443422)
Show SMILES Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...

Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
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)
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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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50415616
PNG
(CHEMBL1087421)
Show SMILES COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
Show InChI InChI=1S/C16H12Cl3NO/c1-21-15-7-9-4-5-20-16(11(9)8-14(15)19)10-2-3-12(17)13(18)6-10/h2-3,6-8H,4-5H2,1H3
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal histidine-tagged human full length JNK3 by radiometric filter binding assay

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
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)
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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))		BDBM50419000
PNG
(CHEMBL1809107)
Show SMILES O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1ccncc1
Show InChI InChI=1S/C22H19N3O2S/c26-22-18-13-20(16-5-7-23-8-6-16)28-21(18)19(14-24-22)15-1-3-17(4-2-15)25-9-11-27-12-10-25/h1-8,13-14H,9-12H2,(H,24,26)
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n/an/a 63.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human full length His-tagged GSK3-beta expressed in baculovirus by alphaLISA assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
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)
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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)
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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))		BDBM50418989
PNG
(CHEMBL1809113)
Show SMILES Fc1ccc(cc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1)C#N
Show InChI InChI=1S/C19H10FN3OS/c20-16-2-1-11(9-21)7-13(16)15-10-23-19(24)14-8-17(25-18(14)15)12-3-5-22-6-4-12/h1-8,10H,(H,23,24)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human flag-tagged GSK3-beta expressed in HEK-MSRII cells assessed as CRMP-2 phosphorylation by alphaLISA assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM50172920
PNG
(3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)
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n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of JNK1 by high throughput screening

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50334942
PNG
(1-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES CC(=O)c1ccc(cc1)-n1nc(c2CCCCc12)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O/c1-10(22)11-6-8-12(9-7-11)21-14-5-3-2-4-13(14)15(20-21)16(17,18)19/h6-9H,2-5H2,1H3
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n/an/a 100n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 by fluorescence assay

J Med Chem 54: 78-94 (2011)


Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50279327
PNG
(CHEMBL4165288)
Show SMILES O=C(Nc1cc(cc2[nH]ncc12)-c1cccc2[nH]ccc12)c1ccccn1
Show InChI InChI=1S/C21H15N5O/c27-21(18-5-1-2-8-22-18)25-19-10-13(11-20-16(19)12-24-26-20)14-4-3-6-17-15(14)7-9-23-17/h1-12,23H,(H,24,26)(H,25,27)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr

ACS Med Chem Lett 8: 1093-1098 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00296
BindingDB Entry DOI: 10.7270/Q28S4SDF
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)
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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))		BDBM8370
PNG
(N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclopropan...)
Show SMILES Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C17H15N3O2/c21-13-6-3-10(4-7-13)12-5-8-14-15(9-12)19-20-16(14)18-17(22)11-1-2-11/h3-9,11,21H,1-2H2,(H2,18,19,20,22)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase

ACS Med Chem Lett 8: 1093-1098 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00296
BindingDB Entry DOI: 10.7270/Q28S4SDF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418999
PNG
(CHEMBL1809118)
Show SMILES COCc1ccccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C20H16N2O2S/c1-24-12-14-4-2-3-5-15(14)17-11-22-20(23)16-10-18(25-19(16)17)13-6-8-21-9-7-13/h2-11H,12H2,1H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418993
PNG
(CHEMBL1809119)
Show SMILES CCOc1ccc(cn1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C19H15N3O2S/c1-2-24-17-4-3-13(10-21-17)15-11-22-19(23)14-9-16(25-18(14)15)12-5-7-20-8-6-12/h3-11H,2H2,1H3,(H,22,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50419001
PNG
(CHEMBL1738951)
Show SMILES O=c1[nH]ccc2oc(cc12)-c1ccncc1
Show InChI InChI=1S/C12H8N2O2/c15-12-9-7-11(8-1-4-13-5-2-8)16-10(9)3-6-14-12/h1-7H,(H,14,15)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50415620
PNG
(CHEMBL1088633)
Show SMILES COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
Show InChI InChI=1S/C16H13Cl2NO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal histidine-tagged human full length JNK3 by radiometric filter binding assay

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50419004
PNG
(CHEMBL1738953)
Show SMILES Oc1ccc(cc1)-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50279329
PNG
(CHEMBL4161596)
Show SMILES Oc1ccc(cc1)-c1cc(NC(=O)c2ccccn2)c2cn[nH]c2c1
Show InChI InChI=1S/C19H14N4O2/c24-14-6-4-12(5-7-14)13-9-17(15-11-21-23-18(15)10-13)22-19(25)16-3-1-2-8-20-16/h1-11,24H,(H,21,23)(H,22,25)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured afte...

ACS Med Chem Lett 8: 1093-1098 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00296
BindingDB Entry DOI: 10.7270/Q28S4SDF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50418998
PNG
(CHEMBL1809117)
Show SMILES O=c1[nH]cc(-c2cscc2C#N)c2sc(cc12)-c1ccncc1
Show InChI InChI=1S/C17H9N3OS2/c18-6-11-8-22-9-14(11)13-7-20-17(21)12-5-15(23-16(12)13)10-1-3-19-4-2-10/h1-5,7-9H,(H,20,21)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 expressed in baculovirus using [gamma-32P]-ATP by 33-P leadseeker assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50419003
PNG
(CHEMBL1738952)
Show SMILES Brc1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human full length His-tagged GSK3-beta expressed in baculovirus by alphaLISA assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50418994
PNG
(CHEMBL1809120)
Show SMILES COc1cc(F)ccc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1
Show InChI InChI=1S/C19H13FN2O2S/c1-24-16-8-12(20)2-3-13(16)15-10-22-19(23)14-9-17(25-18(14)15)11-4-6-21-7-5-11/h2-10H,1H3,(H,22,23)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50510294
PNG
(CHEMBL4592805)
Show SMILES NC(=N)NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C22H19ClN4O2/c23-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(27-29-19)28-20(13-26-22(24)25)14-6-2-1-3-7-14/h1-12,20H,13H2,(H4,24,25,26)/t20-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...

Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50510288
PNG
(CHEMBL4445556)
Show SMILES NC[C@H](Oc1noc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...

Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50418989
PNG
(CHEMBL1809113)
Show SMILES Fc1ccc(cc1-c1c[nH]c(=O)c2cc(sc12)-c1ccncc1)C#N
Show InChI InChI=1S/C19H10FN3OS/c20-16-2-1-11(9-21)7-13(16)15-10-23-19(24)14-8-17(25-18(14)15)12-3-5-22-6-4-12/h1-8,10H,(H,23,24)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 expressed in baculovirus using [gamma-32P]-ATP by 33-P leadseeker assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50334936
PNG
(CHEMBL1649665 | N-cyclopentyl-2-{4-[3-(trifluorome...)
Show SMILES FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C21H24F3N3O/c22-21(23,24)20-17-7-3-4-8-18(17)27(26-20)16-11-9-14(10-12-16)13-19(28)25-15-5-1-2-6-15/h9-12,15H,1-8,13H2,(H,25,28)
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n/an/a 200n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 by fluorescence assay

J Med Chem 54: 78-94 (2011)


Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50178832
PNG
(CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...)
Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1
Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by high throughput screening

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
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)
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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))		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)
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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))		BDBM50418988
PNG
(CHEMBL1809111)
Show SMILES Cn1cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc2c1=O)-c1ccncc1
Show InChI InChI=1S/C23H21N3O2S/c1-25-15-20(16-2-4-18(5-3-16)26-10-12-28-13-11-26)22-19(23(25)27)14-21(29-22)17-6-8-24-9-7-17/h2-9,14-15H,10-13H2,1H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human full length His-tagged GSK3-beta expressed in baculovirus by alphaLISA assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50418987
PNG
(CHEMBL1809110)
Show SMILES O=c1[nH]cc(-c2ccc(cc2)N2CCOCC2)c2sc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N4O2S/c25-20-16-9-18(14-10-22-23-11-14)27-19(16)17(12-21-20)13-1-3-15(4-2-13)24-5-7-26-8-6-24/h1-4,9-12H,5-8H2,(H,21,25)(H,22,23)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 expressed in baculovirus using [gamma-32P]-ATP by 33-P leadseeker assay

Bioorg Med Chem Lett 21: 4823-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.050
BindingDB Entry DOI: 10.7270/Q2GB2598
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50415620
PNG
(CHEMBL1088633)
Show SMILES COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
Show InChI InChI=1S/C16H13Cl2NO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy

Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
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