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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'ong' and Initial = 'hw'   
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


(Plasmodium falciparum (isolate 3D7))
BDBM50589997
PNG
(CHEMBL5208060)
Show SMILES COc1ccc2cc(oc2c1)C(=O)c1ccc(cc1)C#N
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n/an/a 0.490n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50589997
PNG
(CHEMBL5208060)
Show SMILES COc1ccc2cc(oc2c1)C(=O)c1ccc(cc1)C#N
KEGG

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n/an/a 0.490n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1


(Plasmodium Falciparum)
BDBM36336
PNG
(CID24762166 | Purfalcamine, 1)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
Show InChI InChI=1S/C29H33FN8O/c30-20-5-4-6-24(17-20)38-18-32-25-26(35-29(36-27(25)38)34-23-13-9-21(31)10-14-23)33-22-11-7-19(8-12-22)28(39)37-15-2-1-3-16-37/h4-8,11-12,17-18,21,23H,1-3,9-10,13-16,31H2,(H2,33,34,35,36)/t21-,23-
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n/an/a 2.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50259155
PNG
((Z)-Hymenialdisine | Hymenialdisine)
Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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n/an/a 23n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50259155
PNG
((Z)-Hymenialdisine | Hymenialdisine)
Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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n/an/a 23n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590019
PNG
(CHEMBL5176863)
Show SMILES Cc1ccc(s1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCOCC2)ncc1Cl
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n/an/a 79n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590018
PNG
(CHEMBL5186081)
Show SMILES Clc1ccc(s1)-c1nc(Nc2ccc(cc2)C(=O)NCCCN2CCOCC2)ncc1Cl
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n/an/a 97n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 100n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590015
PNG
(CHEMBL5207951)
Show SMILES Cc1ccc(s1)-c1nc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)ncc1Cl
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n/an/a 124n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590014
PNG
(CHEMBL5180806)
Show SMILES Brc1cnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)nc1-c1cc2ccccc2s1
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n/an/a 165n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590017
PNG
(CHEMBL5173813)
Show SMILES Clc1ccc(s1)-c1nc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)ncc1Cl
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n/an/a 172n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590013
PNG
(CHEMBL5197512)
Show SMILES Clc1cnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)nc1-c1cc2ccccc2s1
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n/an/a 174n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590004
PNG
(CHEMBL5198648)
Show SMILES CS(=O)(=O)CCCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 223n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590001
PNG
(CHEMBL5202515)
Show SMILES CN1CCN(CCCNC(=O)c2ccc(Nc3nccc(n3)-c3cc4ccccc4s3)cc2)CC1
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n/an/a 226n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590002
PNG
(CHEMBL5179526)
Show SMILES O=C(NCCCN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 243n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590005
PNG
(CHEMBL5203707)
Show SMILES O=C(NC1CC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 272n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590000
PNG
(CHEMBL5208765)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 308n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590003
PNG
(CHEMBL5178028)
Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 328n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590012
PNG
(CHEMBL5191618)
Show SMILES Fc1cnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)nc1-c1cc2ccccc2s1
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n/an/a 456n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50424223
PNG
(CHEMBL2313853)
Show SMILES Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(Cl)c1 |(27.03,-4.45,;26.56,-5.91,;27.47,-7.17,;26.56,-8.42,;25.08,-7.94,;23.75,-8.72,;22.42,-7.94,;21.08,-8.71,;22.42,-6.4,;21.08,-5.62,;19.75,-4.85,;23.75,-5.63,;23.74,-4.1,;25.07,-3.32,;25.07,-1.78,;23.73,-1.02,;22.4,-1.8,;22.41,-3.33,;21.08,-4.11,;25.08,-6.39,;29.01,-7.17,;29.78,-5.83,;29.78,-8.5,;29,-9.83,;29.77,-11.17,;31.32,-11.17,;32.08,-9.82,;33.62,-9.82,;31.31,-8.5,)|
Show InChI InChI=1S/C21H12Cl2N4OS/c22-11-5-3-4-10(8-11)18(28)19-17(25)16-15(12-6-1-2-7-14(12)23)13(9-24)20(26)27-21(16)29-19/h1-8H,25H2,(H2,26,27)
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n/an/a 480n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50424223
PNG
(CHEMBL2313853)
Show SMILES Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(Cl)c1 |(27.03,-4.45,;26.56,-5.91,;27.47,-7.17,;26.56,-8.42,;25.08,-7.94,;23.75,-8.72,;22.42,-7.94,;21.08,-8.71,;22.42,-6.4,;21.08,-5.62,;19.75,-4.85,;23.75,-5.63,;23.74,-4.1,;25.07,-3.32,;25.07,-1.78,;23.73,-1.02,;22.4,-1.8,;22.41,-3.33,;21.08,-4.11,;25.08,-6.39,;29.01,-7.17,;29.78,-5.83,;29.78,-8.5,;29,-9.83,;29.77,-11.17,;31.32,-11.17,;32.08,-9.82,;33.62,-9.82,;31.31,-8.5,)|
Show InChI InChI=1S/C21H12Cl2N4OS/c22-11-5-3-4-10(8-11)18(28)19-17(25)16-15(12-6-1-2-7-14(12)23)13(9-24)20(26)27-21(16)29-19/h1-8H,25H2,(H2,26,27)
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n/an/a 480n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590010
PNG
(CHEMBL5177833)
Show SMILES FC(F)(F)COCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
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n/an/a 490n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590009
PNG
(CHEMBL5172803)
Show SMILES Clc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
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n/an/a 550n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50175688
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
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n/an/a 570n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50589998
PNG
(CHEMBL5185763)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 695n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590007
PNG
(CHEMBL5203977)
Show SMILES Clc1ccc(cc1Cl)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
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n/an/a 698n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590011
PNG
(CHEMBL5201703)
Show SMILES Cc1cnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)nc1-c1cc2ccccc2s1
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n/an/a 710n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50175689
PNG
((4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)p...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C26H27N5OS/c1-30(2)21-12-15-31(16-13-21)25(32)18-7-9-20(10-8-18)28-26-27-14-11-22(29-26)24-17-19-5-3-4-6-23(19)33-24/h3-11,14,17,21H,12-13,15-16H2,1-2H3,(H,27,28,29)
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n/an/a 752n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50589999
PNG
(CHEMBL5195159)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
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n/an/a 810n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590006
PNG
(CHEMBL5206250)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3o2)cc1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590008
PNG
(CHEMBL5194800)
Show SMILES Cc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50590016
PNG
(CHEMBL5194982)
Show SMILES Cc1cnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)nc1-c1ccc(Cl)s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7586
PNG
((2E)-3-[3-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C16H14O2/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-12H,13H2/b9-5+
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n/an/a 7.50E+3n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7570
PNG
((2E)-3-[2-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C16H14O2/c17-12-6-10-15-9-4-5-11-16(15)18-13-14-7-2-1-3-8-14/h1-12H,13H2/b10-6+
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n/an/a 1.10E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7587
PNG
((2E)-3-{3-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C17H16O2/c1-14-6-2-3-9-16(14)13-19-17-10-4-7-15(12-17)8-5-11-18/h2-12H,13H2,1H3/b8-5+
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n/an/a 1.50E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7571
PNG
((2E)-3-{2-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1ccccc1\C=C\C=O
Show InChI InChI=1S/C17H16O2/c1-14-7-2-3-9-16(14)13-19-17-11-5-4-8-15(17)10-6-12-18/h2-12H,13H2,1H3/b10-6+
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n/an/a 1.80E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7569
PNG
((2E)-3-(3-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C9H8O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-7,11H/b4-2+
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n/an/a 3.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7568
PNG
((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1ccccc1\C=C\C=O
Show InChI InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
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n/an/a 3.50E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM7569
PNG
((2E)-3-(3-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C9H8O2/c10-6-2-4-8-3-1-5-9(11)7-8/h1-7,11H/b4-2+
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n/an/a 4.50E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7586
PNG
((2E)-3-[3-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C16H14O2/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h1-12H,13H2/b9-5+
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n/an/a 5.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7570
PNG
((2E)-3-[2-(benzyloxy)phenyl]prop-2-enal | Cinnamal...)
Show SMILES O=C\C=C\c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C16H14O2/c17-12-6-10-15-9-4-5-11-16(15)18-13-14-7-2-1-3-8-14/h1-12H,13H2/b10-6+
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n/an/a 5.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7587
PNG
((2E)-3-{3-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1cccc(\C=C\C=O)c1
Show InChI InChI=1S/C17H16O2/c1-14-6-2-3-9-16(14)13-19-17-10-4-7-15(12-17)8-5-11-18/h2-12H,13H2,1H3/b8-5+
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n/an/a 6.00E+4n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7568
PNG
((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...)
Show SMILES Oc1ccccc1\C=C\C=O
Show InChI InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
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n/an/a 1.30E+5n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7571
PNG
((2E)-3-{2-[(2-methylphenyl)methoxy]phenyl}prop-2-e...)
Show SMILES Cc1ccccc1COc1ccccc1\C=C\C=O
Show InChI InChI=1S/C17H16O2/c1-14-7-2-3-9-16(14)13-19-17-11-5-4-8-15(17)10-6-12-18/h2-12H,13H2,1H3/b10-6+
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n/an/a 2.00E+5n/an/an/an/a7.230



Korea Research Institute of Bioscience and Biotechnology



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 10: 1819-22 (2000)


Article DOI: 10.1016/s0960-894x(00)00357-7
BindingDB Entry DOI: 10.7270/Q2Q23XFZ
More data for this
Ligand-Target Pair