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Compile Data Set for Download or QSAR

Found 129 hits from Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50418714
PNG
(CHEMBL1796525)
Show SMILES ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C29H28ClN7O3S2/c30-16-25(38)32-28-22(21-13-7-8-14-23(21)42-28)15-24-33-35-29(37(24)36-27(40)20-11-5-2-6-12-20)41-18-26(39)34-31-17-19-9-3-1-4-10-19/h1-6,9-12,17H,7-8,13-16,18H2,(H,32,38)(H,34,39)(H,36,40)
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n/an/a 32n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418711
PNG
(CHEMBL1796521)
Show SMILES ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27Cl2N7O3S2/c30-15-25(39)33-28-22(21-8-4-5-9-23(21)43-28)14-24-34-36-29(38(24)37-27(41)19-10-12-20(31)13-11-19)42-17-26(40)35-32-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,16H,4-5,8-9,14-15,17H2,(H,33,39)(H,35,40)(H,37,41)
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n/an/a 35n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418671
PNG
(CHEMBL1796361)
Show SMILES NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H24ClN7O3S2/c23-11-18(31)25-21-15(14-8-4-5-9-16(14)35-21)10-17-27-28-22(34-12-19(32)26-24)30(17)29-20(33)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,24H2,(H,25,31)(H,26,32)(H,29,33)
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n/an/a 37n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418668
PNG
(CHEMBL1796357)
Show SMILES NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23Cl2N7O3S2/c23-10-18(32)26-21-15(14-3-1-2-4-16(14)36-21)9-17-28-29-22(35-11-19(33)27-25)31(17)30-20(34)12-5-7-13(24)8-6-12/h5-8H,1-4,9-11,25H2,(H,26,32)(H,27,33)(H,30,34)
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n/an/a 39n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418619
PNG
(CHEMBL1796148)
Show SMILES Nn1c(Cc2c3CCCCc3sc2NC(=O)CCl)n[nH]c1=S
Show InChI InChI=1S/C13H16ClN5OS2/c14-6-11(20)16-12-8(5-10-17-18-13(21)19(10)15)7-3-1-2-4-9(7)22-12/h1-6,15H2,(H,16,20)(H,18,21)
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n/an/a 43n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418734
PNG
(CHEMBL1796334)
Show SMILES ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC#N)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N6O2S2/c23-12-19(31)26-21-16(15-3-1-2-4-17(15)34-21)11-18-27-28-22(33-10-9-25)30(18)29-20(32)13-5-7-14(24)8-6-13/h5-8H,1-4,10-12H2,(H,26,31)(H,29,32)
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n/an/a 58n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418675
PNG
(CHEMBL1796365)
Show SMILES CC(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)CCl)nnc1SCC(=O)NN
Show InChI InChI=1S/C17H22ClN7O3S2/c1-9(26)24-25-13(22-23-17(25)29-8-15(28)21-19)6-11-10-4-2-3-5-12(10)30-16(11)20-14(27)7-18/h2-8,19H2,1H3,(H,20,27)(H,21,28)(H,24,26)
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n/an/a 61n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418653
PNG
(CHEMBL1796342)
Show SMILES CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC#N
Show InChI InChI=1S/C17H19ClN6O2S2/c1-10(25)23-24-14(21-22-17(24)27-7-6-19)8-12-11-4-2-3-5-13(11)28-16(12)20-15(26)9-18/h2-5,7-9H2,1H3,(H,20,26)(H,23,25)
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n/an/a 61n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418669
PNG
(CHEMBL1796358)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN7O3S2/c1-12(31)25-21-16(15-4-2-3-5-17(15)35-21)10-18-27-28-22(34-11-19(32)26-24)30(18)29-20(33)13-6-8-14(23)9-7-13/h6-9H,2-5,10-11,24H2,1H3,(H,25,31)(H,26,32)(H,29,33)
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n/an/a 64n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418636
PNG
(CHEMBL1796166)
Show SMILES OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NCCC(O)=O)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H44Cl2N10O6S4/c44-26-13-9-24(10-14-26)38(60)52-54-34(21-30-28-5-1-3-7-32(28)64-40(30)46-19-17-36(56)57)48-50-42(54)62-23-63-43-51-49-35(55(43)53-39(61)25-11-15-27(45)16-12-25)22-31-29-6-2-4-8-33(29)65-41(31)47-20-18-37(58)59/h9-16,46-47H,1-8,17-23H2,(H,52,60)(H,53,61)(H,56,57)(H,58,59)
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n/an/a 164n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418677
PNG
(CHEMBL1796367)
Show SMILES CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC(=O)NN
Show InChI InChI=1S/C22H25N7O3S2/c1-13(30)28-29-18(26-27-22(29)33-12-19(31)25-23)11-16-15-9-5-6-10-17(15)34-21(16)24-20(32)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12,23H2,1H3,(H,24,32)(H,25,31)(H,28,30)
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n/an/a 180n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418625
PNG
(CHEMBL1795354)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n[nH]c1=S
Show InChI InChI=1S/C25H22ClN5O2S2/c26-17-12-10-16(11-13-17)23(33)30-31-21(28-29-25(31)34)14-19-18-8-4-5-9-20(18)35-24(19)27-22(32)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,27,32)(H,29,34)(H,30,33)
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n/an/a 183n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418697
PNG
(CHEMBL1796506)
Show SMILES OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27Cl2N7O5S2/c26-12-20(35)30-31-21(36)13-40-25-32-29-19(34(25)33-23(39)14-5-7-15(27)8-6-14)11-17-16-3-1-2-4-18(16)41-24(17)28-10-9-22(37)38/h5-8,28H,1-4,9-13H2,(H,30,35)(H,31,36)(H,33,39)(H,37,38)
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n/an/a 185n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418672
PNG
(CHEMBL1796362)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C22H25N7O3S2/c1-13(30)24-21-16(15-9-5-6-10-17(15)34-21)11-18-26-27-22(33-12-19(31)25-23)29(18)28-20(32)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12,23H2,1H3,(H,24,30)(H,25,31)(H,28,32)
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n/an/a 192n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418740
PNG
(CHEMBL1796360)
Show SMILES NNC(=O)CSc1nnc(Cc2c3CCCCc3sc2NCCC(O)=O)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN7O4S2/c24-14-7-5-13(6-8-14)21(35)30-31-18(28-29-23(31)36-12-19(32)27-25)11-16-15-3-1-2-4-17(15)37-22(16)26-10-9-20(33)34/h5-8,26H,1-4,9-12,25H2,(H,27,32)(H,30,35)(H,33,34)
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n/an/a 201n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418738
PNG
(CHEMBL1796522)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN7O3S2/c1-18(38)32-28-23(22-9-5-6-10-24(22)42-28)15-25-33-35-29(37(25)36-27(40)20-11-13-21(30)14-12-20)41-17-26(39)34-31-16-19-7-3-2-4-8-19/h2-4,7-8,11-14,16H,5-6,9-10,15,17H2,1H3,(H,32,38)(H,34,39)(H,36,40)
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n/an/a 213n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418712
PNG
(CHEMBL1796523)
Show SMILES Clc1ccc(cc1)C(=O)Nn1c(Cc2c3CCCCc3sc2NC(=O)c2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C34H30ClN7O3S2/c35-25-17-15-24(16-18-25)32(45)41-42-29(38-40-34(42)46-21-30(43)39-36-20-22-9-3-1-4-10-22)19-27-26-13-7-8-14-28(26)47-33(27)37-31(44)23-11-5-2-6-12-23/h1-6,9-12,15-18,20H,7-8,13-14,19,21H2,(H,37,44)(H,39,43)(H,41,45)
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n/an/a 217n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418695
PNG
(CHEMBL1796503)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24Cl3N7O4S2/c25-10-19(35)28-23-16(15-3-1-2-4-17(15)40-23)9-18-29-32-24(39-12-21(37)31-30-20(36)11-26)34(18)33-22(38)13-5-7-14(27)8-6-13/h5-8H,1-4,9-12H2,(H,28,35)(H,30,36)(H,31,37)(H,33,38)
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n/an/a 229n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418670
PNG
(CHEMBL1796359)
Show SMILES NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN7O3S2/c28-18-12-10-17(11-13-18)25(38)34-35-22(32-33-27(35)39-15-23(36)31-29)14-20-19-8-4-5-9-21(19)40-26(20)30-24(37)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15,29H2,(H,30,37)(H,31,36)(H,34,38)
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n/an/a 236n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418744
PNG
(CHEMBL1796144)
Show SMILES [S-]C(=S)NNC(=O)Cc1c(NC(=O)CCl)sc2CCCCc12
Show InChI InChI=1S/C13H16ClN3O2S3/c14-6-11(19)15-12-8(5-10(18)16-17-13(20)21)7-3-1-2-4-9(7)22-12/h1-6H2,(H,15,19)(H,16,18)(H2,17,20,21)/p-1
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n/an/a 247n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418676
PNG
(CHEMBL1796366)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN)n1NC(C)=O
Show InChI InChI=1S/C17H23N7O3S2/c1-9(25)19-16-12(11-5-3-4-6-13(11)29-16)7-14-21-22-17(24(14)23-10(2)26)28-8-15(27)20-18/h3-8,18H2,1-2H3,(H,19,25)(H,20,27)(H,23,26)
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n/an/a 249n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418713
PNG
(CHEMBL1796524)
Show SMILES OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H30ClN7O4S2/c31-21-12-10-20(11-13-21)28(42)37-38-25(16-23-22-8-4-5-9-24(22)44-29(23)32-15-14-27(40)41)34-36-30(38)43-18-26(39)35-33-17-19-6-2-1-3-7-19/h1-3,6-7,10-13,17,32H,4-5,8-9,14-16,18H2,(H,35,39)(H,37,42)(H,40,41)
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n/an/a 258n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418737
PNG
(CHEMBL1796504)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25Cl2N7O4S2/c1-13(34)27-23-17(16-4-2-3-5-18(16)39-23)10-19-28-31-24(38-12-21(36)30-29-20(35)11-25)33(19)32-22(37)14-6-8-15(26)9-7-14/h6-9H,2-5,10-12H2,1H3,(H,27,34)(H,29,35)(H,30,36)(H,32,37)
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n/an/a 260n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418673
PNG
(CHEMBL1796363)
Show SMILES NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C27H27N7O3S2/c28-30-23(35)16-38-27-32-31-22(34(27)33-25(37)18-11-5-2-6-12-18)15-20-19-13-7-8-14-21(19)39-26(20)29-24(36)17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16,28H2,(H,29,36)(H,30,35)(H,33,37)
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n/an/a 264n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418688
PNG
(CHEMBL1796495)
Show SMILES CC(=O)Nn1c(Cc2c3CCCCc3sc2NCCC(O)=O)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C20H26ClN7O5S2/c1-11(29)27-28-15(23-26-20(28)34-10-17(31)25-24-16(30)9-21)8-13-12-4-2-3-5-14(12)35-19(13)22-7-6-18(32)33/h22H,2-10H2,1H3,(H,24,30)(H,25,31)(H,27,29)(H,32,33)
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n/an/a 265n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418717
PNG
(CHEMBL1796528)
Show SMILES OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C30H31N7O4S2/c38-26(34-32-18-20-9-3-1-4-10-20)19-42-30-35-33-25(37(30)36-28(41)21-11-5-2-6-12-21)17-23-22-13-7-8-14-24(22)43-29(23)31-16-15-27(39)40/h1-6,9-12,18,31H,7-8,13-17,19H2,(H,34,38)(H,36,41)(H,39,40)
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n/an/a 267n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418622
PNG
(CHEMBL1796151)
Show SMILES Nn1c(Cc2c3CCCCc3sc2NCCC(O)=O)n[nH]c1=S
Show InChI InChI=1S/C14H19N5O2S2/c15-19-11(17-18-14(19)22)7-9-8-3-1-2-4-10(8)23-13(9)16-6-5-12(20)21/h16H,1-7,15H2,(H,18,22)(H,20,21)
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n/an/a 268n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418694
PNG
(CHEMBL1796502)
Show SMILES OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H30ClN7O5S2/c31-20-12-10-19(11-13-20)28(43)37-38-24(16-22-21-8-4-5-9-23(21)45-29(22)32-15-14-26(40)41)33-36-30(38)44-17-25(39)34-35-27(42)18-6-2-1-3-7-18/h1-3,6-7,10-13,32H,4-5,8-9,14-17H2,(H,34,39)(H,35,42)(H,37,43)(H,40,41)
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n/an/a 271n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418659
PNG
(CHEMBL1796348)
Show SMILES COC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H26ClN5O4S2/c1-38-24(35)16-39-28-32-31-23(34(28)33-26(37)18-11-13-19(29)14-12-18)15-21-20-9-5-6-10-22(20)40-27(21)30-25(36)17-7-3-2-4-8-17/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,30,36)(H,33,37)
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n/an/a 293n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418689
PNG
(CHEMBL1796497)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN7O4S2/c1-17(38)32-34-25(39)16-42-29-35-33-24(37(29)36-27(41)19-11-13-20(30)14-12-19)15-22-21-9-5-6-10-23(21)43-28(22)31-26(40)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15-16H2,1H3,(H,31,40)(H,32,38)(H,34,39)(H,36,41)
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n/an/a 318n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418710
PNG
(CHEMBL1796520)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(C)=O
Show InChI InChI=1S/C19H25N7O4S2/c1-10(27)20-18-14(13-6-4-5-7-15(13)32-18)8-16-22-24-19(26(16)25-12(3)29)31-9-17(30)23-21-11(2)28/h4-9H2,1-3H3,(H,20,27)(H,21,28)(H,23,30)(H,25,29)
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n/an/a 327n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418718
PNG
(CHEMBL1796529)
Show SMILES CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC(=O)NN=Cc1ccccc1
Show InChI InChI=1S/C24H26ClN7O3S2/c1-15(33)31-32-20(11-18-17-9-5-6-10-19(17)37-23(18)27-21(34)12-25)28-30-24(32)36-14-22(35)29-26-13-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,27,34)(H,29,35)(H,31,33)
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n/an/a 336n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418733
PNG
(CHEMBL1796163)
Show SMILES ClCC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(=O)CCl)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H38Cl4N10O4S4/c42-19-34(56)46-38-28(26-5-1-3-7-30(26)62-38)17-32-48-50-40(54(32)52-36(58)22-9-13-24(44)14-10-22)60-21-61-41-51-49-33(55(41)53-37(59)23-11-15-25(45)16-12-23)18-29-27-6-2-4-8-31(27)63-39(29)47-35(57)20-43/h9-16H,1-8,17-21H2,(H,46,56)(H,47,57)(H,52,58)(H,53,59)
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n/an/a 340n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418696
PNG
(CHEMBL1796505)
Show SMILES ClCC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27Cl2N7O4S2/c30-15-24(39)34-35-25(40)16-43-29-36-33-23(38(29)37-27(42)18-10-12-19(31)13-11-18)14-21-20-8-4-5-9-22(20)44-28(21)32-26(41)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14-16H2,(H,32,41)(H,34,39)(H,35,40)(H,37,42)
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n/an/a 340n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418623
PNG
(CHEMBL1796152)
Show SMILES ClCC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl2N5O2S2/c21-10-17(28)23-19-14(13-3-1-2-4-15(13)31-19)9-16-24-25-20(30)27(16)26-18(29)11-5-7-12(22)8-6-11/h5-8H,1-4,9-10H2,(H,23,28)(H,25,30)(H,26,29)
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n/an/a 343n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418645
PNG
(CHEMBL1796145)
Show SMILES CC(=O)Nc1sc2CCCCc2c1CC(=O)NNC([S-])=S
Show InChI InChI=1S/C13H17N3O2S3/c1-7(17)14-12-9(6-11(18)15-16-13(19)20)8-4-2-3-5-10(8)21-12/h2-6H2,1H3,(H,14,17)(H,15,18)(H2,16,19,20)/p-1
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n/an/a 346n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418698
PNG
(CHEMBL1796507)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2c(NC(=O)CCl)sc3CCCCc23)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26ClN7O4S2/c1-14(33)27-29-21(35)13-37-24-30-28-19(32(24)31-22(36)15-7-3-2-4-8-15)11-17-16-9-5-6-10-18(16)38-23(17)26-20(34)12-25/h2-4,7-8H,5-6,9-13H2,1H3,(H,26,34)(H,27,33)(H,29,35)(H,31,36)
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n/an/a 350n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418690
PNG
(CHEMBL1796498)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2c3CCCCc3sc2NCCC(O)=O)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN7O5S2/c1-14(34)28-30-21(35)13-39-25-31-29-20(33(25)32-23(38)15-6-8-16(26)9-7-15)12-18-17-4-2-3-5-19(17)40-24(18)27-11-10-22(36)37/h6-9,27H,2-5,10-13H2,1H3,(H,28,34)(H,30,35)(H,32,38)(H,36,37)
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n/an/a 352n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418735
PNG
(CHEMBL1795356)
Show SMILES COC(=O)CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N5O4S2/c1-37-24(34)17-38-28-31-30-23(33(28)32-26(36)19-12-6-3-7-13-19)16-21-20-14-8-9-15-22(20)39-27(21)29-25(35)18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3,(H,29,35)(H,32,36)
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n/an/a 353n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418687
PNG
(CHEMBL1796378)
Show SMILES CC(=O)Nn1c(Cc2c(NC(=O)c3ccccc3)sc3CCCCc23)nnc1SCC(=O)NNC(=O)CCl
Show InChI InChI=1S/C24H26ClN7O4S2/c1-14(33)31-32-19(27-30-24(32)37-13-21(35)29-28-20(34)12-25)11-17-16-9-5-6-10-18(16)38-23(17)26-22(36)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,26,36)(H,28,34)(H,29,35)(H,31,33)
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n/an/a 358n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418708
PNG
(CHEMBL1796518)
Show SMILES OC(=O)CCNc1sc2CCCCc2c1Cc1nnc(SCC(=O)NNC(=O)CCl)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C25H28ClN7O5S2/c26-13-20(34)29-30-21(35)14-39-25-31-28-19(33(25)32-23(38)15-6-2-1-3-7-15)12-17-16-8-4-5-9-18(16)40-24(17)27-11-10-22(36)37/h1-3,6-7,27H,4-5,8-14H2,(H,29,34)(H,30,35)(H,32,38)(H,36,37)
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n/an/a 362n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418681
PNG
(CHEMBL1796372)
Show SMILES CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3CCCCc23)nnc1SCC(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C24H26ClN7O4S2/c1-14(33)31-32-19(11-17-16-9-5-6-10-18(16)38-23(17)26-20(34)12-25)27-30-24(32)37-13-21(35)28-29-22(36)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,26,34)(H,28,35)(H,29,36)(H,31,33)
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n/an/a 363n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418680
PNG
(CHEMBL1796371)
Show SMILES CC(=O)NNC(=O)CSc1nnc(Cc2c(NCCC(O)=O)sc3CCCCc23)n1NC(C)=O
Show InChI InChI=1S/C20H27N7O5S2/c1-11(28)22-24-17(30)10-33-20-25-23-16(27(20)26-12(2)29)9-14-13-5-3-4-6-15(13)34-19(14)21-8-7-18(31)32/h21H,3-10H2,1-2H3,(H,22,28)(H,24,30)(H,26,29)(H,31,32)
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n/an/a 366n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418732
PNG
(CHEMBL1796164)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCSc2nnc(Cc3c(NC(C)=O)sc4CCCCc34)n2NC(=O)c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C41H40Cl2N10O4S4/c1-22(54)44-38-30(28-7-3-5-9-32(28)60-38)19-34-46-48-40(52(34)50-36(56)24-11-15-26(42)16-12-24)58-21-59-41-49-47-35(53(41)51-37(57)25-13-17-27(43)18-14-25)20-31-29-8-4-6-10-33(29)61-39(31)45-23(2)55/h11-18H,3-10,19-21H2,1-2H3,(H,44,54)(H,45,55)(H,50,56)(H,51,57)
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n/an/a 367n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418617
PNG
(CHEMBL1796146)
Show SMILES [S-]C(=S)NNC(=O)Cc1c(NC(=O)c2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C18H19N3O2S3/c22-15(20-21-18(24)25)10-13-12-8-4-5-9-14(12)26-17(13)19-16(23)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,19,23)(H,20,22)(H2,21,24,25)/p-1
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n/an/a 373n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418715
PNG
(CHEMBL1796526)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1nnc(SCC(=O)NN=Cc2ccccc2)n1NC(=O)c1ccccc1
Show InChI InChI=1S/C29H29N7O3S2/c1-19(37)31-28-23(22-14-8-9-15-24(22)41-28)16-25-32-34-29(36(25)35-27(39)21-12-6-3-7-13-21)40-18-26(38)33-30-17-20-10-4-2-5-11-20/h2-7,10-13,17H,8-9,14-16,18H2,1H3,(H,31,37)(H,33,38)(H,35,39)
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n/an/a 385n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418620
PNG
(CHEMBL1796149)
Show SMILES CC(=O)Nc1sc2CCCCc2c1Cc1n[nH]c(=S)n1N
Show InChI InChI=1S/C13H17N5OS2/c1-7(19)15-12-9(6-11-16-17-13(20)18(11)14)8-4-2-3-5-10(8)21-12/h2-6,14H2,1H3,(H,15,19)(H,17,20)
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n/an/a 386n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418658
PNG
(CHEMBL1796347)
Show SMILES COC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O4S2/c1-13(30)25-22-17(16-5-3-4-6-18(16)35-22)11-19-26-27-23(34-12-20(31)33-2)29(19)28-21(32)14-7-9-15(24)10-8-14/h7-10H,3-6,11-12H2,1-2H3,(H,25,30)(H,28,32)
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n/an/a 389n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50418665
PNG
(CHEMBL1796354)
Show SMILES COC(=O)CSc1nnc(Cc2c(NC(C)=O)sc3CCCCc23)n1NC(C)=O
Show InChI InChI=1S/C18H23N5O4S2/c1-10(24)19-17-13(12-6-4-5-7-14(12)29-17)8-15-20-21-18(23(15)22-11(2)25)28-9-16(26)27-3/h4-9H2,1-3H3,(H,19,24)(H,22,25)
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Article
PubMed
n/an/a 389n/an/an/an/an/an/a



Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting


Eur J Med Chem 46: 2066-74 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.059
BindingDB Entry DOI: 10.7270/Q28S4R6B
More data for this
Ligand-Target Pair
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