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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'akula' and Initial = 'kc'   
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))
BDBM50218369
PNG
(CHEMBL237855 | N1-[4-phenyl-5-(6-phenyl[1,2,4]tria...)
Show SMILES ClCC(=O)Nc1cc(c(s1)-c1nnc2sc(nn12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H14ClN5OS2/c22-12-16(28)23-17-11-15(13-7-3-1-4-8-13)18(29-17)19-24-25-21-27(19)26-20(30-21)14-9-5-2-6-10-14/h1-11H,12H2,(H,23,28)
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n/an/a 28n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218337
PNG
(CHEMBL397170 | N1-[4-methyl-5-(6-phenyl[1,2,4]tria...)
Show SMILES Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H12ClN5OS2/c1-9-7-12(18-11(23)8-17)24-13(9)14-19-20-16-22(14)21-15(25-16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,23)
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n/an/a 30n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218357
PNG
(CHEMBL399188 | N1-[4-phenyl-5-(5H-[1,2,4]triazolo[...)
Show SMILES ClCC(=O)Nc1cc(c(s1)-c1nnc2Sc3nc4ccccc4nc3Nn12)-c1ccccc1
Show InChI InChI=1S/C22H14ClN7OS2/c23-11-16(31)26-17-10-13(12-6-2-1-3-7-12)18(32-17)20-27-28-22-30(20)29-19-21(33-22)25-15-9-5-4-8-14(15)24-19/h1-10H,11H2,(H,24,29)(H,26,31)
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n/an/a 30n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
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))
BDBM50218358
PNG
(CHEMBL238789 | N1-[4-methyl-5-(5H-[1,2,4]triazolo[...)
Show SMILES CC(=O)Nc1cc(C)c(s1)-c1nnc2Sc3nc4ccccc4nc3Nn12
Show InChI InChI=1S/C17H13N7OS2/c1-8-7-12(18-9(2)25)26-13(8)15-21-22-17-24(15)23-14-16(27-17)20-11-6-4-3-5-10(11)19-14/h3-7H,1-2H3,(H,18,25)(H,19,23)
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n/an/a 34n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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))
BDBM50218379
PNG
(CHEMBL237674 | N1-[4-phenyl-5-(6-phenyl[1,2,4]tria...)
Show SMILES CC(=O)Nc1cc(c(s1)-c1nnc2sc(nn12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15N5OS2/c1-13(27)22-17-12-16(14-8-4-2-5-9-14)18(28-17)19-23-24-21-26(19)25-20(29-21)15-10-6-3-7-11-15/h2-12H,1H3,(H,22,27)
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n/an/a 38n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218354
PNG
(CHEMBL391315 | N1-[5-(6,7-diphenyl-5H-[1,2,4]triaz...)
Show SMILES CC(=O)Nc1cc(c(s1)-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H21N5OS2/c1-18(34)29-23-17-22(19-11-5-2-6-12-19)26(35-23)27-30-31-28-33(27)32-24(20-13-7-3-8-14-20)25(36-28)21-15-9-4-10-16-21/h2-17,25H,1H3,(H,29,34)
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n/an/a 40n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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))
BDBM50218377
PNG
(CHEMBL442239 | N1-[5-(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES Nn1c(n[nH]c1=S)-c1sc(NC(=O)CCl)cc1-c1ccccc1
Show InChI InChI=1S/C14H12ClN5OS2/c15-7-10(21)17-11-6-9(8-4-2-1-3-5-8)12(23-11)13-18-19-14(22)20(13)16/h1-6H,7,16H2,(H,17,21)(H,19,22)
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n/an/a 42n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218356
PNG
(CHEMBL238105 | N1-[4-methyl-5-(6-phenyl[1,2,4]tria...)
Show SMILES CC(=O)Nc1cc(C)c(s1)-c1nnc2sc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H13N5OS2/c1-9-8-12(17-10(2)22)23-13(9)14-18-19-16-21(14)20-15(24-16)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,22)
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n/an/a 42n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218346
PNG
(CHEMBL394010 | N1-[5-(6,7-diphenyl-5H-[1,2,4]triaz...)
Show SMILES CC(=O)Nc1cc(C)c(s1)-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H19N5OS2/c1-14-13-18(24-15(2)29)30-20(14)22-25-26-23-28(22)27-19(16-9-5-3-6-10-16)21(31-23)17-11-7-4-8-12-17/h3-13,21H,1-2H3,(H,24,29)
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n/an/a 44n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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))
BDBM50218370
PNG
(CHEMBL239205 | N1-[5-(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES Cc1cc(NC(=O)CCl)sc1-c1n[nH]c(=S)n1N
Show InChI InChI=1S/C9H10ClN5OS2/c1-4-2-6(12-5(16)3-10)18-7(4)8-13-14-9(17)15(8)11/h2H,3,11H2,1H3,(H,12,16)(H,14,17)
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n/an/a 46n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218341
PNG
(CHEMBL237857 | N1-4-phenyl-5-[6-(3-nitrophenyl)-5,...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn2c(nnc2s1)-c1sc(NC(=O)CCl)cc1-c1ccccc1
Show InChI InChI=1S/C21H13ClN6O3S2/c22-11-16(29)23-17-10-15(12-5-2-1-3-6-12)18(32-17)19-24-25-21-27(19)26-20(33-21)13-7-4-8-14(9-13)28(30)31/h1-10H,11H2,(H,23,29)
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n/an/a 48n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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))
BDBM50218338
PNG
(CHEMBL235967 | N1-4-methyl-5-[6-(3-nitrophenyl)-5,...)
Show SMILES Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(nn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN6O3S2/c1-8-5-12(18-11(24)7-17)27-13(8)14-19-20-16-22(14)21-15(28-16)9-3-2-4-10(6-9)23(25)26/h2-6H,7H2,1H3,(H,18,24)
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n/an/a 53n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218342
PNG
(CHEMBL239215 | N1-[4-phenyl-5-(5H-[1,2,4]triazolo[...)
Show SMILES CC(=O)Nc1cc(c(s1)-c1nnc2Sc3nc4ccccc4nc3Nn12)-c1ccccc1
Show InChI InChI=1S/C22H15N7OS2/c1-12(30)23-17-11-14(13-7-3-2-4-8-13)18(31-17)20-26-27-22-29(20)28-19-21(32-22)25-16-10-6-5-9-15(16)24-19/h2-11H,1H3,(H,23,30)(H,24,28)
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n/an/a 54n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218348
PNG
(CHEMBL235972 | N1-[5-(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES CC(=O)Nc1cc(c(s1)-c1n[nH]c(=S)n1N)-c1ccccc1
Show InChI InChI=1S/C14H13N5OS2/c1-8(20)16-11-7-10(9-5-3-2-4-6-9)12(22-11)13-17-18-14(21)19(13)15/h2-7H,15H2,1H3,(H,16,20)(H,18,21)
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n/an/a 54n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218350
PNG
(CHEMBL239203 | N1-[5-(4-amino-5-sulfanyl-4H-1,2,4-...)
Show SMILES CC(=O)Nc1cc(C)c(s1)-c1n[nH]c(=S)n1N
Show InChI InChI=1S/C9H11N5OS2/c1-4-3-6(11-5(2)15)17-7(4)8-12-13-9(16)14(8)10/h3H,10H2,1-2H3,(H,11,15)(H,13,16)
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n/an/a 58n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218351
PNG
(CHEMBL237856 | N1-4-phenyl-5-[6-(3-nitrophenyl)-5,...)
Show SMILES CC(=O)Nc1cc(c(s1)-c1nnc2sc(nn12)-c1cccc(c1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H14N6O3S2/c1-12(28)22-17-11-16(13-6-3-2-4-7-13)18(31-17)19-23-24-21-26(19)25-20(32-21)14-8-5-9-15(10-14)27(29)30/h2-11H,1H3,(H,22,28)
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n/an/a 60n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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))
BDBM50218333
PNG
(CHEMBL239856 | N1-[5-(6,7-diphenyl-5H-[1,2,4]triaz...)
Show SMILES ClCC(=O)Nc1cc(c(s1)-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H20ClN5OS2/c29-17-22(35)30-23-16-21(18-10-4-1-5-11-18)26(36-23)27-31-32-28-34(27)33-24(19-12-6-2-7-13-19)25(37-28)20-14-8-3-9-15-20/h1-16,25H,17H2,(H,30,35)
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n/an/a 62n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218334
PNG
(CHEMBL235965 | N1-4-methyl-5-[6-(3-nitrophenyl)-5,...)
Show SMILES CC(=O)Nc1cc(C)c(s1)-c1nnc2sc(nn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N6O3S2/c1-8-6-12(17-9(2)23)26-13(8)14-18-19-16-21(14)20-15(27-16)10-4-3-5-11(7-10)22(24)25/h3-7H,1-2H3,(H,17,23)
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n/an/a 64n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50218361
PNG
(CHEMBL238997 | N1-[4-methyl-5-(5H-[1,2,4]triazolo[...)
Show SMILES Cc1cc(NC(=O)CCl)sc1-c1nnc2Sc3nc4ccccc4nc3Nn12
Show InChI InChI=1S/C17H12ClN7OS2/c1-8-6-12(21-11(26)7-18)27-13(8)15-22-23-17-25(15)24-14-16(28-17)20-10-5-3-2-4-9(10)19-14/h2-6H,7H2,1H3,(H,19,24)(H,21,26)
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n/an/a 64n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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))
BDBM50218359
PNG
(CHEMBL238576 | N1-[5-(6,7-diphenyl-5H-[1,2,4]triaz...)
Show SMILES Cc1cc(NC(=O)CCl)sc1-c1nnc2SC(C(=Nn12)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18ClN5OS2/c1-14-12-18(25-17(30)13-24)31-20(14)22-26-27-23-29(22)28-19(15-8-4-2-5-9-15)21(32-23)16-10-6-3-7-11-16/h2-12,21H,13H2,1H3,(H,25,30)
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n/an/a 72n/an/an/an/an/an/a



Dr. Reddy's Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Cdk5/p25


Bioorg Med Chem 15: 6397-406 (2007)


Article DOI: 10.1016/j.bmc.2007.06.053
BindingDB Entry DOI: 10.7270/Q2JS9RP0
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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n/an/a 180n/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))
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))
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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n/an/a 201n/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))
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))
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))
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))
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))
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))
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))
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))
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
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