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Compile Data Set for Download or QSAR

Found 316 hits with Last Name = 'lauffer' and Initial = 'd'   
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))		BDBM50313056
PNG
((Z)-4-(2-(3-chlorophenyl)hydrazono)-3-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)-c1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1 |w:16.17|
Show InChI InChI=1S/C17H15ClN4O3/c1-24-13-7-6-10(8-14(13)25-2)15-16(17(23)22-20-15)21-19-12-5-3-4-11(18)9-12/h3-9H,1-2H3,(H2,20,22,23)
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 0.400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313057
PNG
((Z)-3-(3,4-dimethoxyphenyl)-4-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)c(OC)c1 |w:9.10|
Show InChI InChI=1S/C18H18N4O4/c1-24-13-6-4-5-12(10-13)19-21-17-16(20-22-18(17)23)11-7-8-14(25-2)15(9-11)26-3/h4-10H,1-3H3,(H2,20,22,23)
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 0.400n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313050
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(3-methoxyphenyl)hydr...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1 |w:14.15|
Show InChI InChI=1S/C17H16N4O3/c1-23-13-8-6-11(7-9-13)15-16(17(22)21-19-15)20-18-12-4-3-5-14(10-12)24-2/h3-10H,1-2H3,(H2,19,21,22)
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 0.800n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313048
PNG
((Z)-4-(2-(3-chlorophenyl)hydrazono)-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1 |w:14.15|
Show InChI InChI=1S/C16H13ClN4O2/c1-23-13-7-5-10(6-8-13)14-15(16(22)21-19-14)20-18-12-4-2-3-11(17)9-12/h2-9H,1H3,(H2,19,21,22)
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 1.90n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313059
PNG
((Z)-4-(2-(4-(diethylamino)phenyl)hydrazono)-3-(3,4...)
Show SMILES CCN(CC)c1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)c(OC)c1 |w:12.13|
Show InChI InChI=1S/C21H25N5O3/c1-5-26(6-2)16-10-8-15(9-11-16)22-24-20-19(23-25-21(20)27)14-7-12-17(28-3)18(13-14)29-4/h7-13H,5-6H2,1-4H3,(H2,23,25,27)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313034
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(4-methoxyphenyl)hydr...)
Show SMILES COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)cc1 |w:9.10|
Show InChI InChI=1S/C17H16N4O3/c1-23-13-7-3-11(4-8-13)15-16(17(22)21-19-15)20-18-12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,19,21,22)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313051
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-3-yl)hydrazo...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
Show InChI InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)13-14(15(21)20-18-13)19-17-11-3-2-8-16-9-11/h2-9H,1H3,(H2,18,20,21)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313049
PNG
((Z)-4-(2-(4-chlorophenyl)hydrazono)-3-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccc(Cl)cc1 |w:14.15|
Show InChI InChI=1S/C16H13ClN4O2/c1-23-13-8-2-10(3-9-13)14-15(16(22)21-19-14)20-18-12-6-4-11(17)5-7-12/h2-9H,1H3,(H2,19,21,22)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313036
PNG
((Z)-4-(2-(4-methoxyphenyl)hydrazono)-3-(4-methoxyp...)
Show SMILES COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cnccc1OC |w:9.10|
Show InChI InChI=1S/C16H15N5O3/c1-23-11-5-3-10(4-6-11)18-20-15-14(19-21-16(15)22)12-9-17-8-7-13(12)24-2/h3-9H,1-2H3,(H2,19,21,22)
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 2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313060
PNG
((Z)-3-(3,4-dimethoxyphenyl)-4-(2-(4-morpholinophen...)
Show SMILES COc1ccc(cc1OC)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:16.17|
Show InChI InChI=1S/C21H23N5O4/c1-28-17-8-3-14(13-18(17)29-2)19-20(21(27)25-23-19)24-22-15-4-6-16(7-5-15)26-9-11-30-12-10-26/h3-8,13H,9-12H2,1-2H3,(H2,23,25,27)
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 3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313062
PNG
((Z)-4-(2-(4-chlorophenyl)hydrazono)-3-(4-methoxypy...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(Cl)cc1 |w:14.15|
Show InChI InChI=1S/C15H12ClN5O2/c1-23-12-6-7-17-8-11(12)13-14(15(22)21-19-13)20-18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,19,21,22)
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 3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313064
PNG
((Z)-4-(2-(3-methoxyphenyl)hydrazono)-3-(4-methoxyp...)
Show SMILES COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1cnccc1OC |w:9.10|
Show InChI InChI=1S/C16H15N5O3/c1-23-11-5-3-4-10(8-11)18-20-15-14(19-21-16(15)22)12-9-17-7-6-13(12)24-2/h3-9H,1-2H3,(H2,19,21,22)
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 3.70n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50497604
PNG
(CHEMBL3264033)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccc3F)c2[nH]1)-c1cnc(nc1)C(C)(C)O
Show InChI InChI=1S/C22H22FN7O2/c1-4-24-21(31)30-20-28-16-9-12(13-10-26-19(27-11-13)22(2,3)32)8-14(18(16)29-20)17-15(23)6-5-7-25-17/h5-11,32H,4H2,1-3H3,(H3,24,28,29,30,31)
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<4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay

J Med Chem 57: 8792-816 (2014)


Article DOI: 10.1021/jm500563g
BindingDB Entry DOI: 10.7270/Q2TF01BF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313041
PNG
((Z)-4-(2-(3-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4(5...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C#N |w:14.15|
Show InChI InChI=1S/C17H13N5O2/c1-24-14-4-2-3-12(9-14)15-16(17(23)22-20-15)21-19-13-7-5-11(10-18)6-8-13/h2-9H,1H3,(H2,20,22,23)
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 4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313061
PNG
((Z)-3-(4-methoxypyridin-3-yl)-4-(2-phenylhydrazono...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1 |w:14.15|
Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-8-16-9-11(12)13-14(15(21)20-18-13)19-17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20,21)
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 4.5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50497603
PNG
(CHEMBL3356986)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccn3)c2[nH]1)-c1cncc(F)c1
Show InChI InChI=1S/C19H16FN7O/c1-2-22-19(28)27-18-25-15-8-11(12-6-13(20)10-21-9-12)7-14(16(15)26-18)17-23-4-3-5-24-17/h3-10H,2H2,1H3,(H3,22,25,26,27,28)
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 5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay

J Med Chem 57: 8792-816 (2014)


Article DOI: 10.1021/jm500563g
BindingDB Entry DOI: 10.7270/Q2TF01BF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313040
PNG
((Z)-3-(3-methoxyphenyl)-4-(2-(3-methoxyphenyl)hydr...)
Show SMILES COc1cccc(c1)N=Nc1c([nH][nH]c1=O)-c1cccc(OC)c1 |w:9.10|
Show InChI InChI=1S/C17H16N4O3/c1-23-13-7-3-5-11(9-13)15-16(17(22)21-19-15)20-18-12-6-4-8-14(10-12)24-2/h3-10H,1-2H3,(H2,19,21,22)
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 5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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 6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)

Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50497602
PNG
(CHEMBL222333 | VRT-752586)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccc3F)c2[nH]1)-c1cccnc1
Show InChI InChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)
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 6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay

J Med Chem 57: 8792-816 (2014)


Article DOI: 10.1021/jm500563g
BindingDB Entry DOI: 10.7270/Q2TF01BF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313045
PNG
((Z)-4-(2-(3-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4(5...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C(O)=O |w:14.15|
Show InChI InChI=1S/C17H14N4O4/c1-25-13-4-2-3-11(9-13)14-15(16(22)21-19-14)20-18-12-7-5-10(6-8-12)17(23)24/h2-9H,1H3,(H,23,24)(H2,19,21,22)
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 6.5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557859
PNG
(CHEMBL4784332)
Show SMILES Clc1cccc(Nc2nn3c(Cc4ccc5ncccc5c4)nnc3s2)c1
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 7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50283345
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H30I2N4O8/c1-10(2)19(23(37)26-11(3)21(35)28-14(9-30)8-18(32)33)29-22(36)17(27-12(4)31)7-13-5-15(24)20(34)16(25)6-13/h5-6,9-11,14,17,19,34H,7-8H2,1-4H3,(H,26,37)(H,27,31)(H,28,35)(H,29,36)(H,32,33)/t11-,14-,17-,19-/m0/s1
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 7.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)

Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313068
PNG
((Z)-4-(2-(3-(4-methoxypyridin-3-yl)-5-oxo-1H-pyraz...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C(O)=O |w:14.15|
Show InChI InChI=1S/C16H13N5O4/c1-25-12-6-7-17-8-11(12)13-14(15(22)21-19-13)20-18-10-4-2-9(3-5-10)16(23)24/h2-8H,1H3,(H,23,24)(H2,19,21,22)
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 7.70n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313042
PNG
((Z)-3-(3-methoxyphenyl)-4-(2-(pyridin-2-yl)hydrazo...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccccn1 |w:14.15|
Show InChI InChI=1S/C15H13N5O2/c1-22-11-6-4-5-10(9-11)13-14(15(21)20-18-13)19-17-12-7-2-3-8-16-12/h2-9H,1H3,(H2,18,20,21)
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 8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313055
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(4-morpholinophenyl)h...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N1CCOCC1 |w:14.15|
Show InChI InChI=1S/C20H21N5O3/c1-27-17-8-2-14(3-9-17)18-19(20(26)24-22-18)23-21-15-4-6-16(7-5-15)25-10-12-28-13-11-25/h2-9H,10-13H2,1H3,(H2,22,24,26)
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 8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313038
PNG
((Z)-4-(2-(3-chlorophenyl)hydrazono)-3-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1cccc(Cl)c1 |w:14.15|
Show InChI InChI=1S/C16H13ClN4O2/c1-23-13-7-2-4-10(8-13)14-15(16(22)21-19-14)20-18-12-6-3-5-11(17)9-12/h2-9H,1H3,(H2,19,21,22)
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 8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557853
PNG
(CHEMBL4753090)
Show SMILES Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1
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 8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313065
PNG
((Z)-4-(2-(3-(4-methoxypyridin-3-yl)-5-oxo-1H-pyraz...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)C#N |w:14.15|
Show InChI InChI=1S/C16H12N6O2/c1-24-13-6-7-18-9-12(13)14-15(16(23)22-20-14)21-19-11-4-2-10(8-17)3-5-11/h2-7,9H,1H3,(H2,20,22,23)
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 8.30n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50393079
PNG
(CHEMBL2152855 | US9040542, 23)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r|
Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1
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 9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay

J Med Chem 57: 8792-816 (2014)


Article DOI: 10.1021/jm500563g
BindingDB Entry DOI: 10.7270/Q2TF01BF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313046
PNG
((Z)-4-(2-(4-(dimethylamino)phenyl)hydrazono)-3-(3-...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(cc1)N(C)C |w:14.15|
Show InChI InChI=1S/C18H19N5O2/c1-23(2)14-9-7-13(8-10-14)19-21-17-16(20-22-18(17)24)12-5-4-6-15(11-12)25-3/h4-11H,1-3H3,(H2,20,22,24)
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 9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313039
PNG
((Z)-4-(2-(4-chlorophenyl)hydrazono)-3-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccc(Cl)cc1 |w:14.15|
Show InChI InChI=1S/C16H13ClN4O2/c1-23-13-4-2-3-10(9-13)14-15(16(22)21-19-14)20-18-12-7-5-11(17)6-8-12/h2-9H,1H3,(H2,19,21,22)
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 9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313035
PNG
((Z)-4-(2-(4-methoxyphenyl)hydrazono)-3-(3,4,5-trim...)
Show SMILES COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cc(OC)c(OC)c(OC)c1 |w:9.10|
Show InChI InChI=1S/C19H20N4O5/c1-25-13-7-5-12(6-8-13)20-22-17-16(21-23-19(17)24)11-9-14(26-2)18(28-4)15(10-11)27-3/h5-10H,1-4H3,(H2,21,23,24)
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 9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557856
PNG
(CHEMBL4790331)
Show SMILES Oc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1F
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 10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313052
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-4-yl)hydrazo...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1ccncc1 |w:14.15|
Show InChI InChI=1S/C15H13N5O2/c1-22-12-4-2-10(3-5-12)13-14(15(21)20-18-13)19-17-11-6-8-16-9-7-11/h2-9H,1H3,(H2,18,20,21)
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 14n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557867
PNG
(CHEMBL4783289)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1 |r|
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 15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313054
PNG
((Z)-4-(2-(4-(diethylamino)phenyl)hydrazono)-3-(4-m...)
Show SMILES CCN(CC)c1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccc(OC)cc1 |w:12.13|
Show InChI InChI=1S/C20H23N5O2/c1-4-25(5-2)16-10-8-15(9-11-16)21-23-19-18(22-24-20(19)26)14-6-12-17(27-3)13-7-14/h6-13H,4-5H2,1-3H3,(H2,22,24,26)
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 16n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313067
PNG
((Z)-3-(4-methoxypyridin-3-yl)-4-(2-(pyridin-4-yl)h...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccncc1 |w:14.15|
Show InChI InChI=1S/C14H12N6O2/c1-22-11-4-7-16-8-10(11)12-13(14(21)20-18-12)19-17-9-2-5-15-6-3-9/h2-8H,1H3,(H2,18,20,21)
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 16n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313033
PNG
((Z)-3-(3-methoxyphenyl)-4-(2-(4-methoxyphenyl)hydr...)
Show SMILES COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cccc(OC)c1 |w:9.10|
Show InChI InChI=1S/C17H16N4O3/c1-23-13-8-6-12(7-9-13)18-20-16-15(19-21-17(16)22)11-4-3-5-14(10-11)24-2/h3-10H,1-2H3,(H2,19,21,22)
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 18n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313029
PNG
((Z)-4-(2-(4-methoxyphenyl)hydrazono)-3-phenyl-1H-p...)
Show SMILES COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:9.10|
Show InChI InChI=1S/C16H14N4O2/c1-22-13-9-7-12(8-10-13)17-19-15-14(18-20-16(15)21)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20,21)
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 20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557863
PNG
(CHEMBL4791034)
Show SMILES C[C@H](c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1 |r|
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557864
PNG
(CHEMBL4787386)
Show SMILES C[C@H](c1nnc2sc(Nc3cnn(C)c3)nn12)c1ccc2ncccc2c1 |r|
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 20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313031
PNG
((Z)-4-(2-(4-methoxyphenyl)hydrazono)-3-(pyridin-3-...)
Show SMILES COc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1cccnc1 |w:9.10|
Show InChI InChI=1S/C15H13N5O2/c1-22-12-6-4-11(5-7-12)17-19-14-13(18-20-15(14)21)10-3-2-8-16-9-10/h2-9H,1H3,(H2,18,20,21)
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 20n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557865
PNG
(CHEMBL4778083)
Show SMILES Cn1cc(Nc2nn3c(nnc3s2)C(F)(F)c2ccc3ncccc3c2)cn1
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 21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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 22n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313026
PNG
((Z)-4-(2-(4-chlorophenyl)hydrazono)-3-phenyl-1H-py...)
Show SMILES Clc1ccc(cc1)N=Nc1c([nH][nH]c1=O)-c1ccccc1 |w:8.9|
Show InChI InChI=1S/C15H11ClN4O/c16-11-6-8-12(9-7-11)17-19-14-13(18-20-15(14)21)10-4-2-1-3-5-10/h1-9H,(H2,18,20,21)
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 23n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313066
PNG
((Z)-3-(4-methoxypyridin-3-yl)-4-(2-(pyridin-3-yl)h...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1cccnc1 |w:14.15|
Show InChI InChI=1S/C14H12N6O2/c1-22-11-4-6-16-8-10(11)12-13(14(21)20-18-12)19-17-9-3-2-5-15-7-9/h2-8H,1H3,(H2,18,20,21)
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 23n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50313044
PNG
((Z)-3-(3-methoxyphenyl)-4-(2-(pyridin-4-yl)hydrazo...)
Show SMILES COc1cccc(c1)-c1[nH][nH]c(=O)c1N=Nc1ccncc1 |w:14.15|
Show InChI InChI=1S/C15H13N5O2/c1-22-12-4-2-3-10(9-12)13-14(15(21)20-18-13)19-17-11-5-7-16-8-6-11/h2-9H,1H3,(H2,18,20,21)
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 23n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50130725
PNG
(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Show SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl |t:6|
Show InChI InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
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 24n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay

Bioorg Med Chem Lett 20: 1661-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.072
BindingDB Entry DOI: 10.7270/Q2TX3G9B
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50557866
PNG
(CHEMBL4750387)
Show SMILES C[C@@H](c1nnc2sc(nn12)-c1cn(C)nc1C)c1ccc2ncccc2c1 |r|
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 24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvat...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00094
BindingDB Entry DOI: 10.7270/Q28919JG
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50283348
PNG
((S)-3-{(S)-2-[(S)-2-(3,3-Dichloro-propionylamino)-...)
Show SMILES CC(C)[C@H](NC(=O)CC(Cl)Cl)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C15H23Cl2N3O6/c1-7(2)13(20-11(22)5-10(16)17)15(26)18-8(3)14(25)19-9(6-21)4-12(23)24/h6-10,13H,4-5H2,1-3H3,(H,18,26)(H,19,25)(H,20,22)(H,23,24)/t8-,9-,13-/m0/s1
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 28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)

Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
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