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PubMed code 17291769

Compile data set for download or QSAR
Found 133 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204980
PNG
((E)-2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-ch...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H21ClN8O3S2/c1-15(34)27-23-28-19(13-37-23)11-20-29-31-24(33(20)32-22(36)17-7-9-18(25)10-8-17)38-14-21(35)30-26-12-16-5-3-2-4-6-16/h2-10,12-13H,11,14H2,1H3,(H,30,35)(H,32,36)(H,27,28,34)
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n/an/a 30n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204969
PNG
(2-(5-((2-benzamidothiazol-4-yl)methyl)-4-(4-chloro...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN8O3S2/c23-15-8-6-14(7-9-15)20(34)30-31-17(28-29-22(31)36-12-18(32)27-24)10-16-11-35-21(25-16)26-19(33)13-4-2-1-3-5-13/h1-9,11H,10,12,24H2,(H,27,32)(H,30,34)(H,25,26,33)
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n/an/a 34n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205012
PNG
((E)-N'-benzylidene-2-(5-((2-(2-chloroacetamido)thi...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H20Cl2N8O3S2/c25-11-20(35)29-23-28-18(13-38-23)10-19-30-32-24(34(19)33-22(37)16-6-8-17(26)9-7-16)39-14-21(36)31-27-12-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,31,36)(H,33,37)(H,28,29,35)
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n/an/a 42n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204973
PNG
(2-(5-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-4...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16Cl2N8O3S2/c18-6-13(28)22-16-21-11(7-31-16)5-12-24-25-17(32-8-14(29)23-20)27(12)26-15(30)9-1-3-10(19)4-2-9/h1-4,7H,5-6,8,20H2,(H,23,29)(H,26,30)(H,21,22,28)
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n/an/a 44n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204959
PNG
(CHEMBL390918 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2N)cs1
Show InChI InChI=1S/C8H10N6OS2/c1-4(15)10-7-11-5(3-17-7)2-6-12-13-8(16)14(6)9/h3H,2,9H2,1H3,(H,13,16)(H,10,11,15)
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n/an/a 48n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50204959
PNG
(CHEMBL390918 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2N)cs1
Show InChI InChI=1S/C8H10N6OS2/c1-4(15)10-7-11-5(3-17-7)2-6-12-13-8(16)14(6)9/h3H,2,9H2,1H3,(H,13,16)(H,10,11,15)
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n/an/a 50n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50205012
PNG
((E)-N'-benzylidene-2-(5-((2-(2-chloroacetamido)thi...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H20Cl2N8O3S2/c25-11-20(35)29-23-28-18(13-38-23)10-19-30-32-24(34(19)33-22(37)16-6-8-17(26)9-7-16)39-14-21(36)31-27-12-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,31,36)(H,33,37)(H,28,29,35)
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n/an/a 51n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205002
PNG
(CHEMBL399828 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H14ClN7O2S2/c1-10(26)20-16-21-13(9-29-16)8-14-22-23-17(28-7-6-19)25(14)24-15(27)11-2-4-12(18)5-3-11/h2-5,9H,7-8H2,1H3,(H,24,27)(H,20,21,26)
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n/an/a 62n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205055
PNG
(3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbony...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN8O4S2/c19-11-3-1-10(2-4-11)16(31)26-27-13(24-25-18(27)33-9-14(28)23-20)7-12-8-32-17(22-12)21-6-5-15(29)30/h1-4,8H,5-7,9,20H2,(H,21,22)(H,23,28)(H,26,31)(H,29,30)
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n/an/a 64n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205021
PNG
(CHEMBL437560 | N-[3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC#N
Show InChI InChI=1S/C22H16ClN7O2S2/c23-16-8-6-15(7-9-16)20(32)29-30-18(27-28-22(30)33-11-10-24)12-17-13-34-21(25-17)26-19(31)14-4-2-1-3-5-14/h1-9,13H,11-12H2,(H,29,32)(H,25,26,31)
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n/an/a 64n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204957
PNG
(2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-chloro...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H17ClN8O3S2/c1-9(27)20-16-21-12(7-30-16)6-13-23-24-17(31-8-14(28)22-19)26(13)25-15(29)10-2-4-11(18)5-3-10/h2-5,7H,6,8,19H2,1H3,(H,22,28)(H,25,29)(H,20,21,27)
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n/an/a 72n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205023
PNG
(3-{4-[5-[5-[2-(2-carboxy-ethylamino)-thiazol-4-ylm...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NCCC(O)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C33H30Cl2N12O6S4/c34-20-5-1-18(2-6-20)28(52)44-46-24(13-22-15-54-30(38-22)36-11-9-26(48)49)40-42-32(46)56-17-57-33-43-41-25(14-23-16-55-31(39-23)37-12-10-27(50)51)47(33)45-29(53)19-3-7-21(35)8-4-19/h1-8,15-16H,9-14,17H2,(H,36,38)(H,37,39)(H,44,52)(H,45,53)(H,48,49)(H,50,51)
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n/an/a 168n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205067
PNG
(3-{4-[5-{2-[N'-(2-chloro-acetyl)-hydrazino]-2-oxo-...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C20H20Cl2N8O5S2/c21-8-15(31)26-27-16(32)10-37-20-28-25-14(7-13-9-36-19(24-13)23-6-5-17(33)34)30(20)29-18(35)11-1-3-12(22)4-2-11/h1-4,9H,5-8,10H2,(H,23,24)(H,26,31)(H,27,32)(H,29,35)(H,33,34)
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Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205009
PNG
(CHEMBL233519 | N-[3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
Show InChI InChI=1S/C20H15ClN6O2S2/c21-14-8-6-13(7-9-14)18(29)26-27-16(24-25-20(27)30)10-15-11-31-19(22-15)23-17(28)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,25,30)(H,26,29)(H,22,23,28)
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n/an/a 186n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205016
PNG
(2-(4-acetamido-5-((2-benzamidothiazol-4-yl)methyl)...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN
Show InChI InChI=1S/C17H18N8O3S2/c1-10(26)24-25-13(22-23-17(25)30-9-14(27)21-18)7-12-8-29-16(19-12)20-15(28)11-5-3-2-4-6-11/h2-6,8H,7,9,18H2,1H3,(H,21,27)(H,24,26)(H,19,20,28)
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n/an/a 186n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205059
PNG
(2-(5-((2-acetamidothiazol-4-yl)methyl)-4-benzamido...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C17H18N8O3S2/c1-10(26)19-16-20-12(8-29-16)7-13-22-23-17(30-9-14(27)21-18)25(13)24-15(28)11-5-3-2-4-6-11/h2-6,8H,7,9,18H2,1H3,(H,21,27)(H,24,28)(H,19,20,26)
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n/an/a 197n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205035
PNG
(2-(4-acetamido-5-((2-(2-chloroacetamido)thiazol-4-...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NN
Show InChI InChI=1S/C12H15ClN8O3S2/c1-6(22)20-21-8(18-19-12(21)26-5-10(24)17-14)2-7-4-25-11(15-7)16-9(23)3-13/h4H,2-3,5,14H2,1H3,(H,17,24)(H,20,22)(H,15,16,23)
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Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204999
PNG
(4-chloro-N-(3-[2-(2-chloro-acetylamino)-thiazol-4-...)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17Cl3N8O4S2/c20-6-14(31)24-18-23-12(8-35-18)5-13-25-28-19(36-9-16(33)27-26-15(32)7-21)30(13)29-17(34)10-1-3-11(22)4-2-10/h1-4,8H,5-7,9H2,(H,26,32)(H,27,33)(H,29,34)(H,23,24,31)
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n/an/a 224n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205049
PNG
(3-(4-{4-(4-chloro-benzoylamino)-5-[1-phenyl-meth-(...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C25H23ClN8O4S2/c26-18-8-6-17(7-9-18)23(38)33-34-20(12-19-14-39-24(29-19)27-11-10-22(36)37)30-32-25(34)40-15-21(35)31-28-13-16-4-2-1-3-5-16/h1-9,13-14H,10-12,15H2,(H,27,29)(H,31,35)(H,33,38)(H,36,37)
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n/an/a 238n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205033
PNG
(2-(4-acetamido-5-((2-acetamidothiazol-4-yl)methyl)...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(C)=O)cs1
Show InChI InChI=1S/C12H16N8O3S2/c1-6(21)14-11-15-8(4-24-11)3-9-17-18-12(20(9)19-7(2)22)25-5-10(23)16-13/h4H,3,5,13H2,1-2H3,(H,16,23)(H,19,22)(H,14,15,21)
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n/an/a 241n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205061
PNG
((E)-2-(5-((2-benzamidothiazol-4-yl)methyl)-4-(4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C29H23ClN8O3S2/c30-22-13-11-21(12-14-22)27(41)37-38-24(15-23-17-42-28(32-23)33-26(40)20-9-5-2-6-10-20)34-36-29(38)43-18-25(39)35-31-16-19-7-3-1-4-8-19/h1-14,16-17H,15,18H2,(H,35,39)(H,37,41)(H,32,33,40)
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n/an/a 246n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204995
PNG
(2-(4-benzamido-5-((2-(2-chloroacetamido)thiazol-4-...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C17H17ClN8O3S2/c18-7-13(27)21-16-20-11(8-30-16)6-12-23-24-17(31-9-14(28)22-19)26(12)25-15(29)10-4-2-1-3-5-10/h1-5,8H,6-7,9,19H2,(H,22,28)(H,25,29)(H,20,21,27)
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n/an/a 246n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204998
PNG
(CHEMBL232077 | N-(3-(2-acetylamino-thiazol-4-ylmet...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C19H18Cl2N8O4S2/c1-10(30)22-18-23-13(8-34-18)6-14-24-27-19(35-9-16(32)26-25-15(31)7-20)29(14)28-17(33)11-2-4-12(21)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,25,31)(H,26,32)(H,28,33)(H,22,23,30)
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n/an/a 260n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204996
PNG
(3-[4-(4-acetylamino-5-{2-[N'-(2-chloro-acetyl)-hyd...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C15H19ClN8O5S2/c1-8(25)23-24-10(4-9-6-30-14(18-9)17-3-2-13(28)29)19-22-15(24)31-7-12(27)21-20-11(26)5-16/h6H,2-5,7H2,1H3,(H,17,18)(H,20,26)(H,21,27)(H,23,25)(H,28,29)
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n/an/a 264n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205052
PNG
(3-{N-(4-[(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl...)
Show SMILES Nn1c(Cc2csc(NCCC(O)=O)n2)n[nH]c1=S
Show InChI InChI=1S/C9H12N6O2S2/c10-15-6(13-14-9(15)18)3-5-4-19-8(12-5)11-2-1-7(16)17/h4H,1-3,10H2,(H,11,12)(H,14,18)(H,16,17)
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n/an/a 264n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204974
PNG
(3-{4-[5-[2-(N'-benzoyl-hydrazino)-2-oxo-ethylsulfa...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C25H23ClN8O5S2/c26-17-8-6-16(7-9-17)23(39)33-34-19(12-18-13-40-24(28-18)27-11-10-21(36)37)29-32-25(34)41-14-20(35)30-31-22(38)15-4-2-1-3-5-15/h1-9,13H,10-12,14H2,(H,27,28)(H,30,35)(H,31,38)(H,33,39)(H,36,37)
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n/an/a 268n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204972
PNG
(2-(4-benzamido-5-((2-benzamidothiazol-4-yl)methyl)...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H20N8O3S2/c23-26-18(31)13-35-22-28-27-17(30(22)29-20(33)15-9-5-2-6-10-15)11-16-12-34-21(24-16)25-19(32)14-7-3-1-4-8-14/h1-10,12H,11,13,23H2,(H,26,31)(H,29,33)(H,24,25,32)
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n/an/a 268n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205039
PNG
(CHEMBL399387 | methyl 2-(5-((2-benzamidothiazol-4-...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19ClN6O4S2/c1-34-19(31)13-36-23-28-27-18(30(23)29-21(33)15-7-9-16(24)10-8-15)11-17-12-35-22(25-17)26-20(32)14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,29,33)(H,25,26,32)
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n/an/a 290n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205017
PNG
(CHEMBL233334 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C31H24Cl4N12O4S4/c32-11-24(48)38-28-36-20(13-52-28)9-22-40-42-30(46(22)44-26(50)16-1-5-18(34)6-2-16)54-15-55-31-43-41-23(10-21-14-53-29(37-21)39-25(49)12-33)47(31)45-27(51)17-3-7-19(35)8-4-17/h1-8,13-14H,9-12,15H2,(H,44,50)(H,45,51)(H,36,38,48)(H,37,39,49)
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n/an/a 340n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204968
PNG
(CHEMBL393528 | N-(3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N8O4S2/c25-11-19(35)30-31-20(36)13-40-24-32-29-18(34(24)33-22(38)15-6-8-16(26)9-7-15)10-17-12-39-23(27-17)28-21(37)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,30,35)(H,31,36)(H,33,38)(H,27,28,37)
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n/an/a 340n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205018
PNG
(CHEMBL234556 | N-[3-[2-(N'-acetyl-hydrazino)-2-oxo...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN8O4S2/c1-14(34)28-30-20(35)13-39-24-31-29-19(33(24)32-22(37)16-7-9-17(25)10-8-16)11-18-12-38-23(26-18)27-21(36)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,28,34)(H,30,35)(H,32,37)(H,26,27,36)
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n/an/a 340n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205046
PNG
(3-{4-[5-[2-(N'-acetyl-hydrazino)-2-oxo-ethylsulfan...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN8O5S2/c1-11(30)24-26-16(31)10-36-20-27-25-15(8-14-9-35-19(23-14)22-7-6-17(32)33)29(20)28-18(34)12-2-4-13(21)5-3-12/h2-5,9H,6-8,10H2,1H3,(H,22,23)(H,24,30)(H,26,31)(H,28,34)(H,32,33)
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n/an/a 352n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205027
PNG
(CHEMBL392948 | N-(4-{4-acetylamino-5-[2-(N'-acetyl...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
Show InChI InChI=1S/C14H17ClN8O4S2/c1-7(24)18-20-12(27)6-29-14-21-19-10(23(14)22-8(2)25)3-9-5-28-13(16-9)17-11(26)4-15/h5H,3-4,6H2,1-2H3,(H,18,24)(H,20,27)(H,22,25)(H,16,17,26)
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n/an/a 354n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204948
PNG
(CHEMBL437951 | N-[3-{[2-(2-acetylhydrazino)-2-oxoe...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)23-25-16(31)10-34-19-26-24-14(7-13-9-33-18(21-13)22-15(30)8-20)28(19)27-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,23,29)(H,25,31)(H,27,32)(H,21,22,30)
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n/an/a 356n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205006
PNG
(CHEMBL231671 | N-[4-(4-acetylamino-5-{2-[N'-(2-chl...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)27-28-14(23-26-19(28)34-10-16(31)25-24-15(30)8-20)7-13-9-33-18(21-13)22-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,30)(H,25,31)(H,27,29)(H,21,22,32)
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n/an/a 356n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204955
PNG
(CHEMBL388906 | methyl 2-(4-benzamido-5-((2-benzami...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C23H20N6O4S2/c1-33-19(30)14-35-23-27-26-18(29(23)28-21(32)16-10-6-3-7-11-16)12-17-13-34-22(24-17)25-20(31)15-8-4-2-5-9-15/h2-11,13H,12,14H2,1H3,(H,28,32)(H,24,25,31)
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n/an/a 364n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204958
PNG
(CHEMBL231668 | N-(4-{4-acetylamino-5-[2-(N'-benzoy...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)27-28-14(7-13-9-33-18(21-13)22-15(30)8-20)23-26-19(28)34-10-16(31)24-25-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,31)(H,25,32)(H,27,29)(H,21,22,30)
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n/an/a 365n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205070
PNG
(CHEMBL232522 | methyl 2-(5-((2-acetamidothiazol-4-...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN6O4S2/c1-10(26)20-17-21-13(8-30-17)7-14-22-23-18(31-9-15(27)29-2)25(14)24-16(28)11-3-5-12(19)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,24,28)(H,20,21,26)
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n/an/a 380n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205008
PNG
(CHEMBL398141 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C31H26Cl2N12O4S4/c1-16(46)34-28-36-22(13-50-28)11-24-38-40-30(44(24)42-26(48)18-3-7-20(32)8-4-18)52-15-53-31-41-39-25(12-23-14-51-29(37-23)35-17(2)47)45(31)43-27(49)19-5-9-21(33)10-6-19/h3-10,13-14H,11-12,15H2,1-2H3,(H,42,48)(H,43,49)(H,34,36,46)(H,35,37,47)
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n/an/a 382n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205007
PNG
(CHEMBL234777 | N-(4-{4-acetylamino-5-[2-(N'-acetyl...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(C)=O
Show InChI InChI=1S/C14H18N8O4S2/c1-7(23)15-13-16-10(5-27-13)4-11-18-20-14(22(11)21-9(3)25)28-6-12(26)19-17-8(2)24/h5H,4,6H2,1-3H3,(H,17,24)(H,19,26)(H,21,25)(H,15,16,23)
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n/an/a 384n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205044
PNG
(CHEMBL243209 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES Nn1c(Cc2csc(NC(=O)CCl)n2)n[nH]c1=S
Show InChI InChI=1S/C8H9ClN6OS2/c9-2-6(16)12-7-11-4(3-18-7)1-5-13-14-8(17)15(5)10/h3H,1-2,10H2,(H,14,17)(H,11,12,16)
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n/an/a 390n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205003
PNG
(CHEMBL242151 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C17H15N7O2S2/c1-11(25)19-16-20-13(10-28-16)9-14-21-22-17(27-8-7-18)24(14)23-15(26)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3,(H,23,26)(H,19,20,25)
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n/an/a 395n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205013
PNG
(CHEMBL394335 | N-(4-{4-acetylamino-5-[2-(N'-benzoy...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C24H22N8O4S2/c1-15(33)31-32-19(12-18-13-37-23(25-18)26-21(35)16-8-4-2-5-9-16)27-30-24(32)38-14-20(34)28-29-22(36)17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3,(H,28,34)(H,29,36)(H,31,33)(H,25,26,35)
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n/an/a 413n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204971
PNG
(CHEMBL233539 | N-[4-(4-acetylamino-5-cyanomethylsu...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC#N
Show InChI InChI=1S/C12H12ClN7O2S2/c1-7(21)19-20-9(17-18-12(20)23-3-2-14)4-8-6-24-11(15-8)16-10(22)5-13/h6H,3-5H2,1H3,(H,19,21)(H,15,16,22)
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n/an/a 415n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204977
PNG
(CHEMBL244318 | N-[3-{[2-(2-benzoylhydrazino)-2-oxo...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C24H22N8O4S2/c1-15(33)25-23-26-18(13-37-23)12-19-27-30-24(32(19)31-22(36)17-10-6-3-7-11-17)38-14-20(34)28-29-21(35)16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,28,34)(H,29,35)(H,31,36)(H,25,26,33)
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n/an/a 421n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204981
PNG
(3-(4-((4-(4-chlorobenzamido)-5-(cyanomethylthio)-4...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C18H16ClN7O3S2/c19-12-3-1-11(2-4-12)16(29)25-26-14(23-24-18(26)30-8-6-20)9-13-10-31-17(22-13)21-7-5-15(27)28/h1-4,10H,5,7-9H2,(H,21,22)(H,25,29)(H,27,28)
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n/an/a 426n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205004
PNG
(3-(4-{4-benzoylamino-5-[2-(N'-benzoyl-hydrazino)-2...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C25H24N8O5S2/c34-20(29-30-22(37)16-7-3-1-4-8-16)15-40-25-31-28-19(33(25)32-23(38)17-9-5-2-6-10-17)13-18-14-39-24(27-18)26-12-11-21(35)36/h1-10,14H,11-13,15H2,(H,26,27)(H,29,34)(H,30,37)(H,32,38)(H,35,36)
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n/an/a 432n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204954
PNG
(3-(4-((4-acetamido-5-mercapto-4H-1,2,4-triazol-3-y...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)n[nH]c1=S
Show InChI InChI=1S/C11H14N6O3S2/c1-6(18)16-17-8(14-15-11(17)21)4-7-5-22-10(13-7)12-3-2-9(19)20/h5H,2-4H2,1H3,(H,12,13)(H,15,21)(H,16,18)(H,19,20)
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n/an/a 436n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204964
PNG
(CHEMBL234572 | N-(4-{4-acetylamino-5-[2-(N'-benzoy...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(C)=O)cs1
Show InChI InChI=1S/C19H20N8O4S2/c1-11(28)20-18-21-14(9-32-18)8-15-22-25-19(27(15)26-12(2)29)33-10-16(30)23-24-17(31)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,23,30)(H,24,31)(H,26,29)(H,20,21,28)
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n/an/a 436n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205071
PNG
(CHEMBL232320 | methyl 2-(5-((2-(2-chloroacetamido)...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16Cl2N6O4S2/c1-30-15(28)9-32-18-24-23-13(6-12-8-31-17(21-12)22-14(27)7-19)26(18)25-16(29)10-2-4-11(20)5-3-10/h2-5,8H,6-7,9H2,1H3,(H,25,29)(H,21,22,27)
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n/an/a 440n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205058
PNG
(CHEMBL398389 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C15H13ClN6O2S2/c1-8(23)17-14-18-11(7-26-14)6-12-19-20-15(25)22(12)21-13(24)9-2-4-10(16)5-3-9/h2-5,7H,6H2,1H3,(H,20,25)(H,21,24)(H,17,18,23)
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n/an/a 462n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205041
PNG
(3-(4-((4-(4-chlorobenzamido)-5-mercapto-4H-1,2,4-t...)
Show SMILES OC(=O)CCNc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C16H15ClN6O3S2/c17-10-3-1-9(2-4-10)14(26)22-23-12(20-21-16(23)27)7-11-8-28-15(19-11)18-6-5-13(24)25/h1-4,8H,5-7H2,(H,18,19)(H,21,27)(H,22,26)(H,24,25)
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n/an/a 462n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205040
PNG
(CHEMBL394336 | N-[4-(4-acetylamino-5-{2-[N'-(2-chl...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C14H16Cl2N8O4S2/c1-7(25)23-24-9(2-8-5-29-13(17-8)18-10(26)3-15)19-22-14(24)30-6-12(28)21-20-11(27)4-16/h5H,2-4,6H2,1H3,(H,20,27)(H,21,28)(H,23,25)(H,17,18,26)
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n/an/a 462n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205069
PNG
(3-[4-(4-benzoylamino-5-{2-[N'-(2-chloro-acetyl)-hy...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C20H21ClN8O5S2/c21-9-15(30)25-26-16(31)11-36-20-27-24-14(29(20)28-18(34)12-4-2-1-3-5-12)8-13-10-35-19(23-13)22-7-6-17(32)33/h1-5,10H,6-9,11H2,(H,22,23)(H,25,30)(H,26,31)(H,28,34)(H,32,33)
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n/an/a 462n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205056
PNG
(3-(4-{4-acetylamino-5-[2-(N'-acetyl-hydrazino)-2-o...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(C)=O
Show InChI InChI=1S/C15H20N8O5S2/c1-8(24)18-20-12(26)7-30-15-21-19-11(23(15)22-9(2)25)5-10-6-29-14(17-10)16-4-3-13(27)28/h6H,3-5,7H2,1-2H3,(H,16,17)(H,18,24)(H,20,26)(H,22,25)(H,27,28)
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n/an/a 463n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205005
PNG
(CHEMBL244852 | N-[3-{[2-(2-benzoylhydrazino)-2-oxo...)
Show SMILES O=C(CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1)NNC(=O)c1ccccc1
Show InChI InChI=1S/C29H24N8O4S2/c38-24(33-34-26(40)20-12-6-2-7-13-20)18-43-29-35-32-23(37(29)36-27(41)21-14-8-3-9-15-21)16-22-17-42-28(30-22)31-25(39)19-10-4-1-5-11-19/h1-15,17H,16,18H2,(H,33,38)(H,34,40)(H,36,41)(H,30,31,39)
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n/an/a 463n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204953
PNG
(CHEMBL234742 | N-[4-(4-acetylamino-5-cyanomethylsu...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(C)=O)cs1
Show InChI InChI=1S/C12H13N7O2S2/c1-7(20)14-11-15-9(6-23-11)5-10-16-17-12(22-4-3-13)19(10)18-8(2)21/h6H,4-5H2,1-2H3,(H,18,21)(H,14,15,20)
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n/an/a 463n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205026
PNG
((E)-2-(4-acetamido-5-((2-acetamidothiazol-4-yl)met...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(C)=O)cs1
Show InChI InChI=1S/C19H20N8O3S2/c1-12(28)21-18-22-15(10-31-18)8-16-23-25-19(27(16)26-13(2)29)32-11-17(30)24-20-9-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H,24,30)(H,26,29)(H,21,22,28)
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n/an/a 463n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205054
PNG
(CHEMBL234342 | N-{3-[2-(N'-acetyl-hydrazino)-2-oxo...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N8O4S2/c1-10(30)24-26-16(32)9-35-19-27-25-14(6-13-8-34-18(22-13)23-15(31)7-20)29(19)28-17(33)11-2-4-12(21)5-3-11/h2-5,8H,6-7,9H2,1H3,(H,24,30)(H,26,32)(H,28,33)(H,22,23,31)
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n/an/a 464n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204983
PNG
(3-[4-(4-benzoylamino-5-hydrazinocarbonylmethylsulf...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C18H20N8O4S2/c19-22-14(27)10-32-18-24-23-13(26(18)25-16(30)11-4-2-1-3-5-11)8-12-9-31-17(21-12)20-7-6-15(28)29/h1-5,9H,6-8,10,19H2,(H,20,21)(H,22,27)(H,25,30)(H,28,29)
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n/an/a 465n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204965
PNG
(CHEMBL232270 | methyl 2-(4-acetamido-5-((2-acetami...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(C)=O
Show InChI InChI=1S/C13H16N6O4S2/c1-7(20)14-12-15-9(5-24-12)4-10-16-17-13(19(10)18-8(2)21)25-6-11(22)23-3/h5H,4,6H2,1-3H3,(H,18,21)(H,14,15,20)
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n/an/a 467n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204991
PNG
(CHEMBL244692 | N'-(2-(4-benzamido-5-((2-(2-chloroa...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C24H21ClN8O4S2/c25-12-19(34)27-23-26-17(13-38-23)11-18-28-31-24(33(18)32-22(37)16-9-5-2-6-10-16)39-14-20(35)29-30-21(36)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,29,35)(H,30,36)(H,32,37)(H,26,27,34)
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n/an/a 467n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205001
PNG
((E)-2-(4-benzamido-5-((2-(2-chloroacetamido)thiazo...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C24H21ClN8O3S2/c25-12-20(34)28-23-27-18(14-37-23)11-19-29-31-24(33(19)32-22(36)17-9-5-2-6-10-17)38-15-21(35)30-26-13-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2,(H,30,35)(H,32,36)(H,27,28,34)
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n/an/a 467n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204989
PNG
((E)-2-(4-acetamido-5-((2-benzamidothiazol-4-yl)met...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C24H22N8O3S2/c1-16(33)31-32-20(12-19-14-36-23(26-19)27-22(35)18-10-6-3-7-11-18)28-30-24(32)37-15-21(34)29-25-13-17-8-4-2-5-9-17/h2-11,13-14H,12,15H2,1H3,(H,29,34)(H,31,33)(H,26,27,35)
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n/an/a 467n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50204969
PNG
(2-(5-((2-benzamidothiazol-4-yl)methyl)-4-(4-chloro...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN8O3S2/c23-15-8-6-14(7-9-15)20(34)30-31-17(28-29-22(31)36-12-18(32)27-24)10-16-11-35-21(25-16)26-19(33)13-4-2-1-3-5-13/h1-9,11H,10,12,24H2,(H,27,32)(H,30,34)(H,25,26,33)
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n/an/a 468n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204984
PNG
(3-(4-{5-[2-(N'-acetyl-hydrazino)-2-oxo-ethylsulfan...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H22N8O5S2/c1-12(29)23-25-16(30)11-35-20-26-24-15(28(20)27-18(33)13-5-3-2-4-6-13)9-14-10-34-19(22-14)21-8-7-17(31)32/h2-6,10H,7-9,11H2,1H3,(H,21,22)(H,23,29)(H,25,30)(H,27,33)(H,31,32)
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n/an/a 472n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204966
PNG
(CHEMBL391207 | N-[4-(4-acetylamino-5-{2-[N'-(2-chl...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(C)=O)cs1
Show InChI InChI=1S/C14H17ClN8O4S2/c1-7(24)16-13-17-9(5-28-13)3-10-18-21-14(23(10)22-8(2)25)29-6-12(27)20-19-11(26)4-15/h5H,3-4,6H2,1-2H3,(H,19,26)(H,20,27)(H,22,25)(H,16,17,24)
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n/an/a 476n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204962
PNG
(3-(4-{4-acetylamino-5-[2-(N'-benzoyl-hydrazino)-2-...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C20H22N8O5S2/c1-12(29)27-28-15(9-14-10-34-19(22-14)21-8-7-17(31)32)23-26-20(28)35-11-16(30)24-25-18(33)13-5-3-2-4-6-13/h2-6,10H,7-9,11H2,1H3,(H,21,22)(H,24,30)(H,25,33)(H,27,29)(H,31,32)
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n/an/a 476n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205062
PNG
(CHEMBL393676 | N'-(2-(5-((2-benzamidothiazol-4-yl)...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C29H23ClN8O4S2/c30-21-13-11-20(12-14-21)27(42)37-38-23(15-22-16-43-28(31-22)32-25(40)18-7-3-1-4-8-18)33-36-29(38)44-17-24(39)34-35-26(41)19-9-5-2-6-10-19/h1-14,16H,15,17H2,(H,34,39)(H,35,41)(H,37,42)(H,31,32,40)
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n/an/a 484n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204950
PNG
((E)-2-(5-((2-acetamidothiazol-4-yl)methyl)-4-benza...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C24H22N8O3S2/c1-16(33)26-23-27-19(14-36-23)12-20-28-30-24(32(20)31-22(35)18-10-6-3-7-11-18)37-15-21(34)29-25-13-17-8-4-2-5-9-17/h2-11,13-14H,12,15H2,1H3,(H,29,34)(H,31,35)(H,26,27,33)
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n/an/a 485n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205029
PNG
(3-[4-(4-benzoylamino-5-cyanomethylsulfanyl-4H-[1,2...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C18H17N7O3S2/c19-7-9-29-18-23-22-14(25(18)24-16(28)12-4-2-1-3-5-12)10-13-11-30-17(21-13)20-8-6-15(26)27/h1-5,11H,6,8-10H2,(H,20,21)(H,24,28)(H,26,27)
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n/an/a 487n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205042
PNG
(CHEMBL388905 | N-[4-({4-(benzoylamino)-5-[(cyanome...)
Show SMILES O=C(Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1)c1ccccc1
Show InChI InChI=1S/C22H17N7O2S2/c23-11-12-32-22-27-26-18(29(22)28-20(31)16-9-5-2-6-10-16)13-17-14-33-21(24-17)25-19(30)15-7-3-1-4-8-15/h1-10,14H,12-13H2,(H,28,31)(H,24,25,30)
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n/an/a 496n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204956
PNG
((E)-2-(4-benzamido-5-((2-benzamidothiazol-4-yl)met...)
Show SMILES O=C(CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1)NN=Cc1ccccc1
Show InChI InChI=1S/C29H24N8O3S2/c38-25(34-30-17-20-10-4-1-5-11-20)19-42-29-35-33-24(37(29)36-27(40)22-14-8-3-9-15-22)16-23-18-41-28(31-23)32-26(39)21-12-6-2-7-13-21/h1-15,17-18H,16,19H2,(H,34,38)(H,36,40)(H,31,32,39)
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n/an/a 496n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50204980
PNG
((E)-2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-ch...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H21ClN8O3S2/c1-15(34)27-23-28-19(13-37-23)11-20-29-31-24(33(20)32-22(36)17-7-9-18(25)10-8-17)38-14-21(35)30-26-12-16-5-3-2-4-6-16/h2-10,12-13H,11,14H2,1H3,(H,30,35)(H,32,36)(H,27,28,34)
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n/an/a 512n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205014
PNG
(3-(4-{4-benzoylamino-5-[1-phenyl-meth-(E)-ylidene-...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCC(=O)NN=Cc3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C25H24N8O4S2/c34-21(30-27-14-17-7-3-1-4-8-17)16-39-25-31-29-20(33(25)32-23(37)18-9-5-2-6-10-18)13-19-15-38-24(28-19)26-12-11-22(35)36/h1-10,14-15H,11-13,16H2,(H,26,28)(H,30,34)(H,32,37)(H,35,36)
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n/an/a 526n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204987
PNG
(CHEMBL243438 | N-(3-[2-(2-chloro-acetylamino)-thia...)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H18Cl2N8O4S2/c20-7-14(30)23-18-22-12(9-34-18)6-13-24-27-19(35-10-16(32)26-25-15(31)8-21)29(13)28-17(33)11-4-2-1-3-5-11/h1-5,9H,6-8,10H2,(H,25,31)(H,26,32)(H,28,33)(H,22,23,30)
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n/an/a 530n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204963
PNG
(CHEMBL234763 | N'-(2-(5-((2-acetamidothiazol-4-yl)...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H21ClN8O4S2/c1-14(34)26-23-27-18(12-38-23)11-19-28-31-24(33(19)32-22(37)16-7-9-17(25)10-8-16)39-13-20(35)29-30-21(36)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,29,35)(H,30,36)(H,32,37)(H,26,27,34)
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n/an/a 534n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204949
PNG
((E)-2-(4-acetamido-5-((2-(2-chloroacetamido)thiazo...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C19H19ClN8O3S2/c1-12(29)27-28-15(7-14-10-32-18(22-14)23-16(30)8-20)24-26-19(28)33-11-17(31)25-21-9-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,25,31)(H,27,29)(H,22,23,30)
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n/an/a 536n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205045
PNG
(CHEMBL243439 | N-[3-{[2-(2-chloroacetylhydrazino)-...)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C24H21ClN8O4S2/c25-12-19(34)29-30-20(35)14-39-24-31-28-18(33(24)32-22(37)16-9-5-2-6-10-16)11-17-13-38-23(26-17)27-21(36)15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,29,34)(H,30,35)(H,32,37)(H,26,27,36)
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n/an/a 542n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204978
PNG
(CHEMBL396547 | N-[3-{[2-(2-acetylhydrazino)-2-oxoe...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H20N8O4S2/c1-11(28)20-18-21-14(9-32-18)8-15-23-25-19(33-10-16(30)24-22-12(2)29)27(15)26-17(31)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,22,29)(H,24,30)(H,26,31)(H,20,21,28)
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n/an/a 542n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204986
PNG
(3-(4-((4-(4-chlorobenzamido)-5-(2-methoxy-2-oxoeth...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN6O5S2/c1-31-16(29)10-33-19-24-23-14(8-13-9-32-18(22-13)21-7-6-15(27)28)26(19)25-17(30)11-2-4-12(20)5-3-11/h2-5,9H,6-8,10H2,1H3,(H,21,22)(H,25,30)(H,27,28)
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n/an/a 560n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204992
PNG
(4-chloro-N-(3-((2-(2-chloroacetamido)thiazol-4-yl)...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H13Cl2N7O2S2/c18-8-14(27)22-16-21-12(9-30-16)7-13-23-24-17(29-6-5-20)26(13)25-15(28)10-1-3-11(19)4-2-10/h1-4,9H,6-8H2,(H,25,28)(H,21,22,27)
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n/an/a 562n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205010
PNG
(CHEMBL244504 | N-[3-{[2-(2-acetylhydrazino)-2-oxoe...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C24H22N8O4S2/c1-15(33)27-29-20(34)14-38-24-30-28-19(32(24)31-22(36)17-10-6-3-7-11-17)12-18-13-37-23(25-18)26-21(35)16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,27,33)(H,29,34)(H,31,36)(H,25,26,35)
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n/an/a 564n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205030
PNG
(CHEMBL242996 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C15H14N6O2S2/c1-9(22)16-14-17-11(8-25-14)7-12-18-19-15(24)21(12)20-13(23)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,19,24)(H,20,23)(H,16,17,22)
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n/an/a 574n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204970
PNG
(CHEMBL389762 | N-[4-(4-acetylamino-5-cyanomethylsu...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC#N
Show InChI InChI=1S/C17H15N7O2S2/c1-11(25)23-24-14(21-22-17(24)27-8-7-18)9-13-10-28-16(19-13)20-15(26)12-5-3-2-4-6-12/h2-6,10H,8-9H2,1H3,(H,23,25)(H,19,20,26)
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n/an/a 574n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204979
PNG
(CHEMBL243704 | methyl 2-(5-((2-acetamidothiazol-4-...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C18H18N6O4S2/c1-11(25)19-17-20-13(9-29-17)8-14-21-22-18(30-10-15(26)28-2)24(14)23-16(27)12-6-4-3-5-7-12/h3-7,9H,8,10H2,1-2H3,(H,23,27)(H,19,20,25)
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n/an/a 587n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205022
PNG
(CHEMBL233933 | N-[4-(4-benzoylamino-5-{4-benzoylam...)
Show SMILES OC(=O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCC(O)=O)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C34H32N12O7S4/c47-26(11-12-27(48)49)38-32-37-23(18-55-32)16-25-40-42-34(46(25)44-30(53)21-9-5-2-6-10-21)57-19-56-33-41-39-24(45(33)43-29(52)20-7-3-1-4-8-20)15-22-17-54-31(36-22)35-14-13-28(50)51/h1-10,17-18H,11-16,19H2,(H,35,36)(H,43,52)(H,44,53)(H,48,49)(H,50,51)(H,37,38,47)
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n/an/a 587n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205050
PNG
(CHEMBL391674 | methyl 2-(4-acetamido-5-((2-benzami...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O
Show InChI InChI=1S/C18H18N6O4S2/c1-11(25)23-24-14(21-22-18(24)30-10-15(26)28-2)8-13-9-29-17(19-13)20-16(27)12-6-4-3-5-7-12/h3-7,9H,8,10H2,1-2H3,(H,23,25)(H,19,20,27)
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n/an/a 598n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204997
PNG
(CHEMBL234349 | N-[4-(4-acetylamino-5-mercapto-4H-[...)
Show SMILES CC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(C)=O)cs1
Show InChI InChI=1S/C10H12N6O2S2/c1-5(17)11-9-12-7(4-20-9)3-8-13-14-10(19)16(8)15-6(2)18/h4H,3H2,1-2H3,(H,14,19)(H,15,18)(H,11,12,17)
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n/an/a 598n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204982
PNG
(CHEMBL396357 | N-(4-((4-acetamido-5-mercapto-4H-1,...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
Show InChI InChI=1S/C15H14N6O2S2/c1-9(22)20-21-12(18-19-15(21)24)7-11-8-25-14(16-11)17-13(23)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,19,24)(H,20,22)(H,16,17,23)
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n/an/a 614n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50204957
PNG
(2-(5-((2-acetamidothiazol-4-yl)methyl)-4-(4-chloro...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H17ClN8O3S2/c1-9(27)20-16-21-12(7-30-16)6-13-23-24-17(31-8-14(28)22-19)26(13)25-15(29)10-2-4-11(18)5-3-10/h2-5,7H,6,8,19H2,1H3,(H,22,28)(H,25,29)(H,20,21,27)
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n/an/a 624n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204993
PNG
(CHEMBL243210 | N-{4-[(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S
Show InChI InChI=1S/C13H12N6OS2/c14-19-10(17-18-13(19)21)6-9-7-22-12(15-9)16-11(20)8-4-2-1-3-5-8/h1-5,7H,6,14H2,(H,18,21)(H,15,16,20)
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n/an/a 630n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204960
PNG
(3-(4-{4-acetylamino-5-[1-phenyl-meth-(E)-ylidene-h...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C20H22N8O4S2/c1-13(29)27-28-16(9-15-11-33-19(23-15)21-8-7-18(31)32)24-26-20(28)34-12-17(30)25-22-10-14-5-3-2-4-6-14/h2-6,10-11H,7-9,12H2,1H3,(H,21,23)(H,25,30)(H,27,29)(H,31,32)
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n/an/a 635n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205037
PNG
(CHEMBL439029 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H30Cl2N12O4S4/c42-28-15-11-26(12-16-28)36(58)52-54-32(19-30-21-60-38(44-30)46-34(56)24-7-3-1-4-8-24)48-50-40(54)62-23-63-41-51-49-33(55(41)53-37(59)27-13-17-29(43)18-14-27)20-31-22-61-39(45-31)47-35(57)25-9-5-2-6-10-25/h1-18,21-22H,19-20,23H2,(H,52,58)(H,53,59)(H,44,46,56)(H,45,47,57)
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n/an/a 640n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204994
PNG
(CHEMBL439021 | N'-(2-(5-((2-(2-chloroacetamido)thi...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C24H20Cl2N8O4S2/c25-11-19(35)28-23-27-17(12-39-23)10-18-29-32-24(34(18)33-22(38)15-6-8-16(26)9-7-15)40-13-20(36)30-31-21(37)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,30,36)(H,31,37)(H,33,38)(H,27,28,35)
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n/an/a 640n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205063
PNG
(3-[4-(4-acetylamino-5-cyanomethylsulfanyl-4H-[1,2,...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC#N
Show InChI InChI=1S/C13H15N7O3S2/c1-8(21)19-20-10(17-18-13(20)24-5-3-14)6-9-7-25-12(16-9)15-4-2-11(22)23/h7H,2,4-6H2,1H3,(H,15,16)(H,19,21)(H,22,23)
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n/an/a 641n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205068
PNG
(CHEMBL234343 | N-[3-{[2-(2-acetylhydrazino)-2-oxoe...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(C)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN8O4S2/c1-10(29)21-18-22-14(8-33-18)7-15-24-26-19(34-9-16(31)25-23-11(2)30)28(15)27-17(32)12-3-5-13(20)6-4-12/h3-6,8H,7,9H2,1-2H3,(H,23,30)(H,25,31)(H,27,32)(H,21,22,29)
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n/an/a 641n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205024
PNG
(4-chloro-N-(3-((2-(2-chloroacetamido)thiazol-4-yl)...)
Show SMILES ClCC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C15H12Cl2N6O2S2/c16-6-12(24)19-14-18-10(7-27-14)5-11-20-21-15(26)23(11)22-13(25)8-1-3-9(17)4-2-8/h1-4,7H,5-6H2,(H,21,26)(H,22,25)(H,18,19,24)
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n/an/a 642n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205053
PNG
(CHEMBL437569 | N-(3-(2-acetylamino-thiazol-4-ylmet...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC(=O)NNC(=O)CCl)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C19H19ClN8O4S2/c1-11(29)21-18-22-13(9-33-18)7-14-23-26-19(34-10-16(31)25-24-15(30)8-20)28(14)27-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,30)(H,25,31)(H,27,32)(H,21,22,29)
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n/an/a 643n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204952
PNG
(CHEMBL234778 | N-(4-{4-acetylamino-5-[2-(N'-acetyl...)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O
Show InChI InChI=1S/C19H20N8O4S2/c1-11(28)22-24-16(30)10-33-19-25-23-15(27(19)26-12(2)29)8-14-9-32-18(20-14)21-17(31)13-6-4-3-5-7-13/h3-7,9H,8,10H2,1-2H3,(H,22,28)(H,24,30)(H,26,29)(H,20,21,31)
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n/an/a 643n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205034
PNG
(CHEMBL395553 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C31H28N12O4S4/c1-18(44)32-28-34-22(15-48-28)13-24-36-38-30(42(24)40-26(46)20-9-5-3-6-10-20)50-17-51-31-39-37-25(14-23-16-49-29(35-23)33-19(2)45)43(31)41-27(47)21-11-7-4-8-12-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,40,46)(H,41,47)(H,32,34,44)(H,33,35,45)
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n/an/a 647n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205057
PNG
(3-(4-((4-benzamido-5-(2-methoxy-2-oxoethylthio)-4H...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C19H20N6O5S2/c1-30-16(28)11-32-19-23-22-14(25(19)24-17(29)12-5-3-2-4-6-12)9-13-10-31-18(21-13)20-8-7-15(26)27/h2-6,10H,7-9,11H2,1H3,(H,20,21)(H,24,29)(H,26,27)
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n/an/a 648n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205032
PNG
(CHEMBL241941 | N-(3-((2-(2-chloroacetamido)thiazol...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C17H14ClN7O2S2/c18-9-14(26)21-16-20-12(10-29-16)8-13-22-23-17(28-7-6-19)25(13)24-15(27)11-4-2-1-3-5-11/h1-5,10H,7-9H2,(H,24,27)(H,20,21,26)
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n/an/a 657n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205043
PNG
(CHEMBL244081 | methyl 2-(4-benzamido-5-((2-(2-chlo...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C18H17ClN6O4S2/c1-29-15(27)10-31-18-23-22-13(7-12-9-30-17(20-12)21-14(26)8-19)25(18)24-16(28)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,24,28)(H,20,21,26)
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n/an/a 674n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204961
PNG
(3-(4-((4-benzamido-5-mercapto-4H-1,2,4-triazol-3-y...)
Show SMILES OC(=O)CCNc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C16H16N6O3S2/c23-13(24)6-7-17-15-18-11(9-27-15)8-12-19-20-16(26)22(12)21-14(25)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,17,18)(H,20,26)(H,21,25)(H,23,24)
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n/an/a 674n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204951
PNG
(CHEMBL395083 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES ClCC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C31H26Cl2N12O4S4/c32-13-24(46)36-28-34-20(15-50-28)11-22-38-40-30(44(22)42-26(48)18-7-3-1-4-8-18)52-17-53-31-41-39-23(12-21-16-51-29(35-21)37-25(47)14-33)45(31)43-27(49)19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2,(H,42,48)(H,43,49)(H,34,36,46)(H,35,37,47)
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n/an/a 674n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204990
PNG
(CHEMBL232087 | N-[4-(4-acetylamino-5-mercapto-4H-[...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)n[nH]c1=S
Show InChI InChI=1S/C10H11ClN6O2S2/c1-5(18)16-17-7(14-15-10(17)20)2-6-4-21-9(12-6)13-8(19)3-11/h4H,2-3H2,1H3,(H,15,20)(H,16,18)(H,12,13,19)
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n/an/a 684n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204988
PNG
(CHEMBL232064 | methyl 2-(4-acetamido-5-((2-(2-chlo...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
Show InChI InChI=1S/C13H15ClN6O4S2/c1-7(21)19-20-9(17-18-13(20)26-6-11(23)24-2)3-8-5-25-12(15-8)16-10(22)4-14/h5H,3-4,6H2,1-2H3,(H,19,21)(H,15,16,22)
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n/an/a 695n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205066
PNG
(CHEMBL244070 | N,N'-(methylenebis{sulfanedial-[5-(...)
Show SMILES O=C(Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)c5ccccc5)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1)c1ccccc1
Show InChI InChI=1S/C41H32N12O4S4/c54-34(26-13-5-1-6-14-26)44-38-42-30(23-58-38)21-32-46-48-40(52(32)50-36(56)28-17-9-3-10-18-28)60-25-61-41-49-47-33(53(41)51-37(57)29-19-11-4-12-20-29)22-31-24-59-39(43-31)45-35(55)27-15-7-2-8-16-27/h1-20,23-24H,21-22,25H2,(H,50,56)(H,51,57)(H,42,44,54)(H,43,45,55)
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n/an/a 698n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205036
PNG
(3-[4-(4-acetylamino-5-{4-acetylamino-5-[2-(2-carbo...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(C)=O
Show InChI InChI=1S/C23H28N12O6S4/c1-12(36)32-34-16(7-14-9-42-20(26-14)24-5-3-18(38)39)28-30-22(34)44-11-45-23-31-29-17(35(23)33-13(2)37)8-15-10-43-21(27-15)25-6-4-19(40)41/h9-10H,3-8,11H2,1-2H3,(H,24,26)(H,25,27)(H,32,36)(H,33,37)(H,38,39)(H,40,41)
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n/an/a 743n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205031
PNG
(3-(4-((4-acetamido-5-(2-methoxy-2-oxoethylthio)-4H...)
Show SMILES COC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(C)=O
Show InChI InChI=1S/C14H18N6O5S2/c1-8(21)19-20-10(17-18-14(20)27-7-12(24)25-2)5-9-6-26-13(16-9)15-4-3-11(22)23/h6H,3-5,7H2,1-2H3,(H,15,16)(H,19,21)(H,22,23)
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n/an/a 746n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205038
PNG
(CHEMBL242782 | N-(3-((2-(2-chloroacetamido)thiazol...)
Show SMILES ClCC(=O)Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C15H13ClN6O2S2/c16-7-12(23)18-14-17-10(8-26-14)6-11-19-20-15(25)22(11)21-13(24)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,20,25)(H,21,24)(H,17,18,23)
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n/an/a 761n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205028
PNG
(CHEMBL233934 | N-{4-[(5-{[({5-[(2-benzamido-1,3-th...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O
Show InChI InChI=1S/C31H28N12O4S4/c1-18(44)40-42-24(13-22-15-48-28(32-22)34-26(46)20-9-5-3-6-10-20)36-38-30(42)50-17-51-31-39-37-25(43(31)41-19(2)45)14-23-16-49-29(33-23)35-27(47)21-11-7-4-8-12-21/h3-12,15-16H,13-14,17H2,1-2H3,(H,40,44)(H,41,45)(H,32,34,46)(H,33,35,47)
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n/an/a 764n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205051
PNG
(CHEMBL233331 | N-(4-{4-acetylamino-5-[4-acetylamin...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(C)=O)n2NC(C)=O)cs1
Show InChI InChI=1S/C21H24N12O4S4/c1-10(34)22-18-24-14(7-38-18)5-16-26-28-20(32(16)30-12(3)36)40-9-41-21-29-27-17(33(21)31-13(4)37)6-15-8-39-19(25-15)23-11(2)35/h7-8H,5-6,9H2,1-4H3,(H,30,36)(H,31,37)(H,22,24,34)(H,23,25,35)
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n/an/a 847n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205020
PNG
(CHEMBL234765 | N-[4-(4-acetylamino-5-{4-acetylamin...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(C)=O
Show InChI InChI=1S/C21H22Cl2N12O4S4/c1-10(36)32-34-14(3-12-7-40-18(24-12)26-16(38)5-22)28-30-20(34)42-9-43-21-31-29-15(35(21)33-11(2)37)4-13-8-41-19(25-13)27-17(39)6-23/h7-8H,3-6,9H2,1-2H3,(H,32,36)(H,33,37)(H,24,26,38)(H,25,27,39)
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n/an/a 847n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50204973
PNG
(2-(5-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-4...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16Cl2N8O3S2/c18-6-13(28)22-16-21-11(7-31-16)5-12-24-25-17(32-8-14(29)23-20)27(12)26-15(30)9-1-3-10(19)4-2-9/h1-4,7H,5-6,8,20H2,(H,23,29)(H,26,30)(H,21,22,28)
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n/an/a 890n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205015
PNG
(CHEMBL242997 | N-(4-{[4-(benzoylamino)-5-mercapto-...)
Show SMILES O=C(Nc1nc(Cc2n[nH]c(=S)n2NC(=O)c2ccccc2)cs1)c1ccccc1
Show InChI InChI=1S/C20H16N6O2S2/c27-17(13-7-3-1-4-8-13)22-19-21-15(12-30-19)11-16-23-24-20(29)26(16)25-18(28)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,24,29)(H,25,28)(H,21,22,27)
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n/an/a 894n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205064
PNG
(3-[4-(4-acetylamino-5-hydrazinocarbonylmethylsulfa...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCC(=O)NN
Show InChI InChI=1S/C13H18N8O4S2/c1-7(22)20-21-9(18-19-13(21)27-6-10(23)17-14)4-8-5-26-12(16-8)15-3-2-11(24)25/h5H,2-4,6,14H2,1H3,(H,15,16)(H,17,23)(H,20,22)(H,24,25)
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n/an/a 943n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50205002
PNG
(CHEMBL399828 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C17H14ClN7O2S2/c1-10(26)20-16-21-13(9-29-16)8-14-22-23-17(28-7-6-19)25(14)24-15(27)11-2-4-12(18)5-3-11/h2-5,9H,7-8H2,1H3,(H,24,27)(H,20,21,26)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50205021
PNG
(CHEMBL437560 | N-[3-(2-benzoylamino-thiazol-4-ylme...)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCC#N
Show InChI InChI=1S/C22H16ClN7O2S2/c23-16-8-6-15(7-9-16)20(32)29-30-18(27-28-22(30)33-11-10-24)12-17-13-34-21(25-17)26-19(31)14-4-2-1-3-5-14/h1-9,13H,11-12H2,(H,29,32)(H,25,26,31)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205025
PNG
(CHEMBL231859 | N-[3-(4-amino-5-mercapto-4H-[1,2,4]...)
Show SMILES Nn1c(CSc2nnc(Cc3csc(NC(=O)c4ccccc4)n3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
Show InChI InChI=1S/C23H19ClN10O2S3/c24-15-8-6-14(7-9-15)20(36)32-34-17(28-31-23(34)39-12-18-29-30-22(37)33(18)25)10-16-11-38-21(26-16)27-19(35)13-4-2-1-3-5-13/h1-9,11H,10,12,25H2,(H,30,37)(H,32,36)(H,26,27,35)
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n/an/a 3.18E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204976
PNG
(CHEMBL232677 | N-(3-((4-amino-5-mercapto-4H-1,2,4-...)
Show SMILES Nn1c(CSc2nnc(Cc3csc(NC(=O)CCl)n3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
Show InChI InChI=1S/C18H16Cl2N10O2S3/c19-6-14(31)23-16-22-11(7-34-16)5-12-24-27-18(35-8-13-25-26-17(33)29(13)21)30(12)28-15(32)9-1-3-10(20)4-2-9/h1-4,7H,5-6,8,21H2,(H,26,33)(H,28,32)(H,22,23,31)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205047
PNG
(CHEMBL233120 | N-{4-[4-acetylamino-5-(4-amino-5-me...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCc1n[nH]c(=S)n1N
Show InChI InChI=1S/C13H15ClN10O2S3/c1-6(25)22-24-8(2-7-4-28-11(16-7)17-10(26)3-14)18-21-13(24)29-5-9-19-20-12(27)23(9)15/h4H,2-3,5,15H2,1H3,(H,20,27)(H,22,25)(H,16,17,26)
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n/an/a 4.64E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204975
PNG
(CHEMBL244703 | N-[3-{[(4-amino-5-thioxo-4,5-dihydr...)
Show SMILES Nn1c(CSc2nnc(Cc3csc(NC(=O)c4ccccc4)n3)n2NC(=O)c2ccccc2)n[nH]c1=S
Show InChI InChI=1S/C23H20N10O2S3/c24-32-18(28-29-22(32)36)13-38-23-30-27-17(33(23)31-20(35)15-9-5-2-6-10-15)11-16-12-37-21(25-16)26-19(34)14-7-3-1-4-8-14/h1-10,12H,11,13,24H2,(H,29,36)(H,31,35)(H,25,26,34)
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n/an/a 4.65E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205011
PNG
(3-(4-((5-((4-amino-5-mercapto-4H-1,2,4-triazol-3-y...)
Show SMILES Nn1c(CSc2nnc(Cc3csc(NCCC(O)=O)n3)n2NC(=O)c2ccccc2)n[nH]c1=S
Show InChI InChI=1S/C19H20N10O3S3/c20-28-14(24-25-18(28)33)10-35-19-26-23-13(29(19)27-16(32)11-4-2-1-3-5-11)8-12-9-34-17(22-12)21-7-6-15(30)31/h1-5,9H,6-8,10,20H2,(H,21,22)(H,25,33)(H,27,32)(H,30,31)
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n/an/a 4.79E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205019
PNG
(CHEMBL393355 | N-{4-[4-acetylamino-5-(4-amino-5-me...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCc3n[nH]c(=S)n3N)n2NC(C)=O)cs1
Show InChI InChI=1S/C13H16N10O2S3/c1-6(24)15-11-16-8(4-27-11)3-9-17-20-13(23(9)21-7(2)25)28-5-10-18-19-12(26)22(10)14/h4H,3,5,14H2,1-2H3,(H,19,26)(H,21,25)(H,15,16,24)
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n/an/a 5.25E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens-Homo sapiens (human))
BDBM50205055
PNG
(3-{4-[4-(4-chloro-benzoylamino)-5-hydrazinocarbony...)
Show SMILES NNC(=O)CSc1nnc(Cc2csc(NCCC(O)=O)n2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN8O4S2/c19-11-3-1-10(2-4-11)16(31)26-27-13(24-25-18(27)33-9-14(28)23-20)7-12-8-32-17(22-12)21-6-5-15(29)30/h1-4,8H,5-7,9,20H2,(H,21,22)(H,23,28)(H,26,31)(H,29,30)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205060
PNG
(CHEMBL233121 | N-(4-((4-acetamido-5-((4-amino-5-me...)
Show SMILES CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCc1n[nH]c(=S)n1N
Show InChI InChI=1S/C18H18N10O2S3/c1-10(29)26-28-13(22-25-18(28)33-9-14-23-24-17(31)27(14)19)7-12-8-32-16(20-12)21-15(30)11-5-3-2-4-6-11/h2-6,8H,7,9,19H2,1H3,(H,24,31)(H,26,29)(H,20,21,30)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205000
PNG
(3-(4-((4-acetamido-5-((4-amino-5-mercapto-4H-1,2,4...)
Show SMILES CC(=O)Nn1c(Cc2csc(NCCC(O)=O)n2)nnc1SCc1n[nH]c(=S)n1N
Show InChI InChI=1S/C14H18N10O3S3/c1-7(25)22-24-9(4-8-5-29-12(17-8)16-3-2-11(26)27)18-21-14(24)30-6-10-19-20-13(28)23(10)15/h5H,2-4,6,15H2,1H3,(H,16,17)(H,20,28)(H,22,25)(H,26,27)
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n/an/a 6.41E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204967
PNG
(CHEMBL244528 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCc3n[nH]c(=S)n3N)n2NC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C18H18N10O2S3/c1-10(29)20-16-21-12(8-32-16)7-13-22-25-18(33-9-14-23-24-17(31)27(14)19)28(13)26-15(30)11-5-3-2-4-6-11/h2-6,8H,7,9,19H2,1H3,(H,24,31)(H,26,30)(H,20,21,29)
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n/an/a 6.54E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205048
PNG
(3-(4-((5-((4-amino-5-mercapto-4H-1,2,4-triazol-3-y...)
Show SMILES Nn1c(CSc2nnc(Cc3csc(NCCC(O)=O)n3)n2NC(=O)c2ccc(Cl)cc2)n[nH]c1=S
Show InChI InChI=1S/C19H19ClN10O3S3/c20-11-3-1-10(2-4-11)16(33)28-30-13(7-12-8-35-17(23-12)22-6-5-15(31)32)24-27-19(30)36-9-14-25-26-18(34)29(14)21/h1-4,8H,5-7,9,21H2,(H,22,23)(H,26,34)(H,28,33)(H,31,32)
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n/an/a 6.65E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50205065
PNG
(CHEMBL244527 | N-(3-((4-amino-5-mercapto-4H-1,2,4-...)
Show SMILES Nn1c(CSc2nnc(Cc3csc(NC(=O)CCl)n3)n2NC(=O)c2ccccc2)n[nH]c1=S
Show InChI InChI=1S/C18H17ClN10O2S3/c19-7-14(30)22-16-21-11(8-33-16)6-12-23-26-18(34-9-13-24-25-17(32)28(13)20)29(12)27-15(31)10-4-2-1-3-5-10/h1-5,8H,6-7,9,20H2,(H,25,32)(H,27,31)(H,21,22,30)
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n/an/a 6.99E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50204985
PNG
(CHEMBL401232 | N-(3-((2-acetamidothiazol-4-yl)meth...)
Show SMILES CC(=O)Nc1nc(Cc2nnc(SCc3n[nH]c(=S)n3N)n2NC(=O)c2ccc(Cl)cc2)cs1
Show InChI InChI=1S/C18H17ClN10O2S3/c1-9(30)21-16-22-12(7-33-16)6-13-23-26-18(34-8-14-24-25-17(32)28(14)20)29(13)27-15(31)10-2-4-11(19)5-3-10/h2-5,7H,6,8,20H2,1H3,(H,25,32)(H,27,31)(H,21,22,30)
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n/an/a 7.48E+3n/an/an/an/an/an/a



Dr. Reddys Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p25 by SPA


Bioorg Med Chem 15: 2601-10 (2007)


Article DOI: 10.1016/j.bmc.2007.01.043
BindingDB Entry DOI: 10.7270/Q25B025P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%