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Found 24 hits Enz. Inhib. hit(s) with Target = 'Glycogen Synthase Kinase 3 (GSK3)' AND taxid = 237631   
Target
(Institution)
LigandTarget
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 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92356
PNG
(Chir98014, 20)
Show SMILES Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1N(=O)=O
Show InChI InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)
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n/an/a 4.70n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 8n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM25115
PNG
(3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...)
Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
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n/an/a 54n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92353
PNG
(Sorafenib derivative, 16)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(c(Cl)cc3OCCCC(O)=O)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C25H22ClF3N4O6/c1-30-23(36)20-11-16(8-9-31-20)39-15-6-4-14(5-7-15)32-24(37)33-19-12-17(25(27,28)29)18(26)13-21(19)38-10-2-3-22(34)35/h4-9,11-13H,2-3,10H2,1H3,(H,30,36)(H,34,35)(H2,32,33,37)
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n/an/a 57n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92354
PNG
(Sorafenib derivative, 17)
Show SMILES OC(=O)CCCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C24H20ClF3N4O5/c25-19-8-5-15(12-18(19)24(26,27)28)32-23(36)31-14-3-6-16(7-4-14)37-17-9-11-29-20(13-17)22(35)30-10-1-2-21(33)34/h3-9,11-13H,1-2,10H2,(H,30,35)(H,33,34)(H2,31,32,36)
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n/an/a 154n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92346
PNG
(GSK3 Inhibitor, 2)
Show SMILES CCn1c(nc2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc12)-c1nonc1N
Show InChI InChI=1S/C23H26N8O4/c1-2-31-18-13-19(25-14-17(18)26-22(31)20-21(24)29-35-28-20)27-23(32)15-3-5-16(6-4-15)34-12-9-30-7-10-33-11-8-30/h3-6,13-14H,2,7-12H2,1H3,(H2,24,29)(H,25,27,32)
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n/an/a 350n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 710n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM14847
PNG
(1-[2-(3-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C30H36N6O3/c1-30(2,3)27-20-28(36(34-27)22-8-6-7-21(31)19-22)33-29(37)32-25-11-12-26(24-10-5-4-9-23(24)25)39-18-15-35-13-16-38-17-14-35/h4-12,19-20H,13-18,31H2,1-3H3,(H2,32,33,37)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92355
PNG
(2-Amino-pyrimidine, 18)
Show SMILES O=S(=O)(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccc2cnccc12
Show InChI InChI=1S/C24H18N6O2S/c31-33(32,23-8-1-4-17-15-26-12-9-21(17)23)30-20-7-2-6-19(14-20)28-24-27-13-10-22(29-24)18-5-3-11-25-16-18/h1-16,30H,(H,27,28,29)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92350
PNG
(1,4-Hybrid, 8)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CCN5CCOCC5)cc34)nc2)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C34H39N11O3/c1-34(2,3)28-19-30(45(43-28)25-6-4-5-22(35)17-25)42-33(47)40-24-8-10-29(36-20-24)41-32-26-18-23(7-9-27(26)37-21-38-32)39-31(46)11-12-44-13-15-48-16-14-44/h4-10,17-21H,11-16,35H2,1-3H3,(H,39,46)(H2,40,42,47)(H,36,37,38,41)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92347
PNG
(1,4-Hybrid, 5)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C31H33N9O2/c1-5-28(41)35-22-13-14-25-24(16-22)29(34-18-33-25)36-20-9-11-21(12-10-20)37-30(42)38-27-17-26(31(2,3)4)39-40(27)23-8-6-7-19(32)15-23/h6-18H,5,32H2,1-4H3,(H,35,41)(H,33,34,36)(H2,37,38,42)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92352
PNG
(BIRB-796 derivative, 12)
Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H41N5O5/c1-5-43-32(40)22-24-10-12-25(13-11-24)39-31(23-30(37-39)34(2,3)4)36-33(41)35-28-14-15-29(27-9-7-6-8-26(27)28)44-21-18-38-16-19-42-20-17-38/h6-15,23H,5,16-22H2,1-4H3,(H2,35,36,41)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM7755
PNG
(4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyclo[7.3.0....)
Show SMILES O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,15H,(H,22,26)(H,25,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM50362099
PNG
(CHEMBL1738943 | Thiazole-urea, 9)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C
Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92349
PNG
(1,4-Hybrid, 7)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(nn5-c5cccc(N)c5)C(C)(C)C)cn4)c3c2)CC1
Show InChI InChI=1S/C35H42N12O2/c1-35(2,3)29-20-31(47(44-29)26-7-5-6-23(36)18-26)43-34(49)41-25-9-11-30(37-21-25)42-33-27-19-24(8-10-28(27)38-22-39-33)40-32(48)12-13-46-16-14-45(4)15-17-46/h5-11,18-22H,12-17,36H2,1-4H3,(H,40,48)(H2,41,43,49)(H,37,38,39,42)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92348
PNG
(1,4-Hybrid, 6)
Show SMILES CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C34H40N10O2/c1-34(2,3)29-20-30(44(42-29)26-9-6-8-22(35)18-26)41-33(46)40-24-13-11-23(12-14-24)39-32-27-19-25(15-16-28(27)36-21-37-32)38-31(45)10-7-17-43(4)5/h6,8-9,11-16,18-21H,7,10,17,35H2,1-5H3,(H,38,45)(H,36,37,39)(H2,40,41,46)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM50290417
PNG
(2-Amino-pyrimidine, 19 | CHEMBL418270 | N-[3-(4-Py...)
Show SMILES O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
Show InChI InChI=1S/C21H16N6O/c28-20(16-5-3-10-23-14-16)25-17-6-1-7-18(12-17)26-21-24-11-8-19(27-21)15-4-2-9-22-13-15/h1-14H,(H,25,28)(H,24,26,27)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM31824
PNG
(1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)
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n/an/a 7.80E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM92351
PNG
(Thiazole-urea, 11)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccc(F)cc3)cs2)n(n1)-c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C28H30FN5O4S/c1-28(2,3)23-15-24(34(33-23)22-10-6-18(7-11-22)14-25(35)36)31-26(37)32-27-30-21(17-39-27)12-13-38-16-19-4-8-20(29)9-5-19/h4-11,15,17H,12-14,16H2,1-3H3,(H,35,36)(H2,30,31,32,37)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM50115209
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM50362103
PNG
(CHEMBL1940503 | Thiazole-urea, 10)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(n1)-c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-7-10-20(14-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)12-13-37-17-19-8-5-4-6-9-19/h4-11,14,16,18H,12-13,15,17H2,1-3H3,(H,34,35)(H2,29,30,31,36)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase 3 (GSK3)


(Ustilago maydis (Smut fungus))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Technische Universität Dortmund



Assay Description
Inhibition of UmGSK3 by kinase inhibitors.


Citation and Details
More data for this
Ligand-Target Pair