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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'adamcová' and Initial = 'h'   
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 9 (CDK9)


(Homo sapiens (human))
BDBM50431286
PNG
(CHEMBL2349193)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C21H28ClN7O/c1-12(2)29-11-25-18-19(24-10-13-9-14(22)3-8-17(13)30)27-21(28-20(18)29)26-16-6-4-15(23)5-7-16/h3,8-9,11-12,15-16,30H,4-7,10,23H2,1-2H3,(H2,24,26,27,28)
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n/an/a 39n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431283
PNG
(CHEMBL2347577)
Show SMILES CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O
Show InChI InChI=1S/C20H27FN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431293
PNG
(CHEMBL2347574)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C19H25ClN6O2/c1-11(2)26-10-23-15-16(21-8-12-7-13(20)5-6-14(12)27)24-18(25-17(15)26)22-9-19(3,4)28/h5-7,10-11,27-28H,8-9H2,1-4H3,(H2,21,22,24,25)
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n/an/a 69n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431284
PNG
(CHEMBL2347575)
Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O
Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431284
PNG
(CHEMBL2347575)
Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O
Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431283
PNG
(CHEMBL2347577)
Show SMILES CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O
Show InChI InChI=1S/C20H27FN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431282
PNG
(CHEMBL2347578)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25FN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431286
PNG
(CHEMBL2349193)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C21H28ClN7O/c1-12(2)29-11-25-18-19(24-10-13-9-14(22)3-8-17(13)30)27-21(28-20(18)29)26-16-6-4-15(23)5-7-16/h3,8-9,11-12,15-16,30H,4-7,10,23H2,1-2H3,(H2,24,26,27,28)
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n/an/a 125n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431285
PNG
(CHEMBL2349194)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431286
PNG
(CHEMBL2349193)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C21H28ClN7O/c1-12(2)29-11-25-18-19(24-10-13-9-14(22)3-8-17(13)30)27-21(28-20(18)29)26-16-6-4-15(23)5-7-16/h3,8-9,11-12,15-16,30H,4-7,10,23H2,1-2H3,(H2,24,26,27,28)
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n/an/a 160n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431284
PNG
(CHEMBL2347575)
Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O
Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431283
PNG
(CHEMBL2347577)
Show SMILES CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O
Show InChI InChI=1S/C20H27FN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431282
PNG
(CHEMBL2347578)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25FN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431285
PNG
(CHEMBL2349194)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431290
PNG
(CHEMBL2347582)
Show SMILES CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C22H33N7O/c1-13(2)18(22(5,6)30)26-21-27-19(24-11-15-9-7-8-10-16(15)23)17-20(28-21)29(12-25-17)14(3)4/h7-10,12-14,18,30H,11,23H2,1-6H3,(H2,24,26,27,28)/t18-/m0/s1
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431293
PNG
(CHEMBL2347574)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C19H25ClN6O2/c1-11(2)26-10-23-15-16(21-8-12-7-13(20)5-6-14(12)27)24-18(25-17(15)26)22-9-19(3,4)28/h5-7,10-11,27-28H,8-9H2,1-4H3,(H2,21,22,24,25)
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n/an/a 435n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431287
PNG
(CHEMBL2349192)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12
Show InChI InChI=1S/C21H27ClN6O2/c1-12(2)28-11-24-18-19(23-10-13-9-14(22)3-8-17(13)30)26-21(27-20(18)28)25-15-4-6-16(29)7-5-15/h3,8-9,11-12,15-16,29-30H,4-7,10H2,1-2H3,(H2,23,25,26,27)
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Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431287
PNG
(CHEMBL2349192)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12
Show InChI InChI=1S/C21H27ClN6O2/c1-12(2)28-11-24-18-19(23-10-13-9-14(22)3-8-17(13)30)26-21(27-20(18)28)25-15-4-6-16(29)7-5-15/h3,8-9,11-12,15-16,29-30H,4-7,10H2,1-2H3,(H2,23,25,26,27)
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n/an/a 550n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431290
PNG
(CHEMBL2347582)
Show SMILES CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C22H33N7O/c1-13(2)18(22(5,6)30)26-21-27-19(24-11-15-9-7-8-10-16(15)23)17-20(28-21)29(12-25-17)14(3)4/h7-10,12-14,18,30H,11,23H2,1-6H3,(H2,24,26,27,28)/t18-/m0/s1
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n/an/a 675n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431292
PNG
(CHEMBL2347580)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C19H27N7O/c1-12(2)26-11-23-15-16(21-9-13-7-5-6-8-14(13)20)24-18(25-17(15)26)22-10-19(3,4)27/h5-8,11-12,27H,9-10,20H2,1-4H3,(H2,21,22,24,25)
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n/an/a 740n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(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 793n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 815n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431290
PNG
(CHEMBL2347582)
Show SMILES CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C22H33N7O/c1-13(2)18(22(5,6)30)26-21-27-19(24-11-15-9-7-8-10-16(15)23)17-20(28-21)29(12-25-17)14(3)4/h7-10,12-14,18,30H,11,23H2,1-6H3,(H2,24,26,27,28)/t18-/m0/s1
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n/an/a 845n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431287
PNG
(CHEMBL2349192)
Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12
Show InChI InChI=1S/C21H27ClN6O2/c1-12(2)28-11-24-18-19(23-10-13-9-14(22)3-8-17(13)30)26-21(27-20(18)28)25-15-4-6-16(29)7-5-15/h3,8-9,11-12,15-16,29-30H,4-7,10H2,1-2H3,(H2,23,25,26,27)
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n/an/a 910n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
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 1.08E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431292
PNG
(CHEMBL2347580)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C19H27N7O/c1-12(2)26-11-23-15-16(21-9-13-7-5-6-8-14(13)20)24-18(25-17(15)26)22-10-19(3,4)27/h5-8,11-12,27H,9-10,20H2,1-4H3,(H2,21,22,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431292
PNG
(CHEMBL2347580)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C19H27N7O/c1-12(2)26-11-23-15-16(21-9-13-7-5-6-8-14(13)20)24-18(25-17(15)26)22-10-19(3,4)27/h5-8,11-12,27H,9-10,20H2,1-4H3,(H2,21,22,24,25)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431288
PNG
(CHEMBL2347584)
Show SMILES CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-12(2)9-21-19-23-17(20-10-14-7-5-6-8-15(14)26)16-18(24-19)25(11-22-16)13(3)4/h5-8,11-13,26H,9-10H2,1-4H3,(H2,20,21,23,24)
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n/an/a 2.36E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(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 2.69E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431288
PNG
(CHEMBL2347584)
Show SMILES CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-12(2)9-21-19-23-17(20-10-14-7-5-6-8-15(14)26)16-18(24-19)25(11-22-16)13(3)4/h5-8,11-13,26H,9-10H2,1-4H3,(H2,20,21,23,24)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431289
PNG
(CHEMBL2347583)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCC(C)(C)O)nc12
Show InChI InChI=1S/C20H28N6O2/c1-13(2)26-12-23-16-17(22-11-14-7-5-6-8-15(14)27)24-19(25-18(16)26)21-10-9-20(3,4)28/h5-8,12-13,27-28H,9-11H2,1-4H3,(H2,21,22,24,25)
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n/an/a 4.49E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431291
PNG
(CHEMBL2347581)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3N)nc(NCCC(C)(C)O)nc12
Show InChI InChI=1S/C20H29N7O/c1-13(2)27-12-24-16-17(23-11-14-7-5-6-8-15(14)21)25-19(26-18(16)27)22-10-9-20(3,4)28/h5-8,12-13,28H,9-11,21H2,1-4H3,(H2,22,23,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50431291
PNG
(CHEMBL2347581)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3N)nc(NCCC(C)(C)O)nc12
Show InChI InChI=1S/C20H29N7O/c1-13(2)27-12-24-16-17(23-11-14-7-5-6-8-15(14)21)25-19(26-18(16)27)22-10-9-20(3,4)28/h5-8,12-13,28H,9-11,21H2,1-4H3,(H2,22,23,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50431289
PNG
(CHEMBL2347583)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCC(C)(C)O)nc12
Show InChI InChI=1S/C20H28N6O2/c1-13(2)26-12-23-16-17(22-11-14-7-5-6-8-15(14)27)24-19(25-18(16)26)21-10-9-20(3,4)28/h5-8,12-13,27-28H,9-11H2,1-4H3,(H2,21,22,24,25)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair