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PubMed code 21038853

Compile data set for download or QSAR
Found 133 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330271
PNG
(CHEMBL1271620 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-p...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C20H25N7/c1-14(2)19-17(13-23-26-19)18-7-8-22-20(25-18)24-15-3-5-16(6-4-15)27-11-9-21-10-12-27/h3-8,13-14,21H,9-12H2,1-2H3,(H,23,26)(H,22,24,25)
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n/an/a<5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330281
PNG
(CHEMBL1271899 | {4-[5-Chloro-3-isopropyl-1-(2-trim...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C20H25ClN8/c1-13(2)18-17(19(21)27-26-18)15-6-7-22-20(24-15)25-16-5-4-14(12-23-16)29-10-8-28(3)9-11-29/h4-7,12-13H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330267
PNG
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330284
PNG
(CHEMBL1272010 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@H](C)C2)n1 |r|
Show InChI InChI=1S/C20H25ClN8/c1-12(2)18-17(19(21)28-27-18)15-6-7-23-20(25-15)26-16-5-4-14(10-24-16)29-9-8-22-13(3)11-29/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,27,28)(H,23,24,25,26)/t13-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330268
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(pip...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
Show InChI InChI=1S/C20H24ClN7/c1-12(2)18-17(19(21)28-27-18)15-7-10-23-20(25-15)26-16-4-3-14(11-24-16)13-5-8-22-9-6-13/h3-4,7,10-13,22H,5-6,8-9H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330269
PNG
(4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylp...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330286
PNG
(CHEMBL1272065 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CC(C)NC(C)C2)n1
Show InChI InChI=1S/C21H27ClN8/c1-12(2)19-18(20(22)29-28-19)16-7-8-23-21(26-16)27-17-6-5-15(9-24-17)30-10-13(3)25-14(4)11-30/h5-9,12-14,25H,10-11H2,1-4H3,(H,28,29)(H,23,24,26,27)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330283
PNG
(CHEMBL1271954 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@@H](C)C2)n1 |r|
Show InChI InChI=1S/C20H25ClN8/c1-12(2)18-17(19(21)28-27-18)15-6-7-23-20(25-15)26-16-5-4-14(10-24-16)29-9-8-22-13(3)11-29/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,27,28)(H,23,24,25,26)/t13-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330285
PNG
(CHEMBL1272011 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNC(C)(C)C2)n1
Show InChI InChI=1S/C21H27ClN8/c1-13(2)18-17(19(22)29-28-18)15-7-8-23-20(26-15)27-16-6-5-14(11-24-16)30-10-9-25-21(3,4)12-30/h5-8,11,13,25H,9-10,12H2,1-4H3,(H,28,29)(H,23,24,26,27)
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330282
PNG
(2-(4-{6-[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(CCO)CC2)n1
Show InChI InChI=1S/C21H27ClN8O/c1-14(2)19-18(20(22)28-27-19)16-5-6-23-21(25-16)26-17-4-3-15(13-24-17)30-9-7-29(8-10-30)11-12-31/h3-6,13-14,31H,7-12H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330279
PNG
(CHEMBL1271842 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1
Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-5-6-21-18(22-12)23-13-3-4-14(25-24-13)28-9-7-20-8-10-28/h3-6,11,20H,7-10H2,1-2H3,(H,26,27)(H,21,22,23,24)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330290
PNG
(CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330291
PNG
(CHEMBL1272327 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-p...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1
Show InChI InChI=1S/C15H22N6/c1-10(2)14-12(9-18-21-14)13-5-8-17-15(20-13)19-11-3-6-16-7-4-11/h5,8-11,16H,3-4,6-7H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 23n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330266
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H24N8/c1-13(2)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,7-10H2,1-2H3,(H,23,26)(H,21,22,24,25)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330290
PNG
(CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330274
PNG
((5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H17F3N8/c18-17(19,20)15-12(10-24-27-15)13-3-4-22-16(25-13)26-14-2-1-11(9-23-14)28-7-5-21-6-8-28/h1-4,9-10,21H,5-8H2,(H,24,27)(H,22,23,25,26)
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330290
PNG
(CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330260
PNG
(CHEMBL1272115 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@H](C)C3)cn2)n1 |r|
Show InChI InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330287
PNG
(CHEMBL1272066 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@@H](C)C3)cn2)n1 |r|
Show InChI InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330271
PNG
(CHEMBL1271620 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-p...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C20H25N7/c1-14(2)19-17(13-23-26-19)18-7-8-22-20(25-18)24-15-3-5-16(6-4-15)27-11-9-21-10-12-27/h3-8,13-14,21H,9-12H2,1-2H3,(H,23,26)(H,22,24,25)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330280
PNG
(CHEMBL1271843 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2cnc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-3-4-21-18(24-12)25-13-9-23-14(10-22-13)28-7-5-20-6-8-28/h3-4,9-11,20H,5-8H2,1-2H3,(H,26,27)(H,21,22,24,25)
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n/an/a 58n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330271
PNG
(CHEMBL1271620 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-p...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C20H25N7/c1-14(2)19-17(13-23-26-19)18-7-8-22-20(25-18)24-15-3-5-16(6-4-15)27-11-9-21-10-12-27/h3-8,13-14,21H,9-12H2,1-2H3,(H,23,26)(H,22,24,25)
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n/an/a 71n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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n/an/a 79n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330275
PNG
(CHEMBL1271671 | [4-(3-Cyclopropyl-1H-pyrazol-4-yl)...)
Show SMILES C1CC1c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N8/c1-2-13(1)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,1-2,7-10H2,(H,23,26)(H,21,22,24,25)
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n/an/a 89n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330270
PNG
(CHEMBL1271509 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-5...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
Show InChI InChI=1S/C17H26N6/c1-11(2)15-14(10-19-22-15)16-12(3)9-18-17(21-16)20-13-5-7-23(4)8-6-13/h9-11,13H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330268
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(pip...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
Show InChI InChI=1S/C20H24ClN7/c1-12(2)18-17(19(21)28-27-18)15-7-10-23-20(25-15)26-16-4-3-14(11-24-16)13-5-8-22-9-6-13/h3-4,7,10-13,22H,5-6,8-9H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 134n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330276
PNG
(CHEMBL1271724 | [4-(3-tert-Butyl-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8/c1-20(2,3)18-15(13-24-27-18)16-6-7-22-19(25-16)26-17-5-4-14(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27)(H,22,23,25,26)
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n/an/a 187n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330272
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(pyridin-2-yl)py...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccccn2)n1
Show InChI InChI=1S/C15H16N6/c1-10(2)14-11(9-18-21-14)12-6-8-17-15(19-12)20-13-5-3-4-7-16-13/h3-10H,1-2H3,(H,18,21)(H,16,17,19,20)
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n/an/a 193n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330267
PNG
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 223n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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n/an/a 231n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330278
PNG
(CHEMBL1271784 | [4-(5-Isopropyl-3-methyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8/c1-13(2)19-18(14(3)26-27-19)16-6-7-22-20(24-16)25-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
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n/an/a 274n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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n/an/a 324n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330269
PNG
(4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylp...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
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n/an/a 338n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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n/an/a 365n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA relative to total pRb level


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330268
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(pip...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
Show InChI InChI=1S/C20H24ClN7/c1-12(2)18-17(19(21)28-27-18)15-7-10-23-20(25-15)26-16-4-3-14(11-24-16)13-5-8-22-9-6-13/h3-4,7,10-13,22H,5-6,8-9H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 383n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA relative to total pRb level


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330266
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H24N8/c1-13(2)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,7-10H2,1-2H3,(H,23,26)(H,21,22,24,25)
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n/an/a 451n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330267
PNG
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 467n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA relative to total pRb level


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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n/an/a 468n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330291
PNG
(CHEMBL1272327 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-p...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1
Show InChI InChI=1S/C15H22N6/c1-10(2)14-12(9-18-21-14)13-5-8-17-15(20-13)19-11-3-6-16-7-4-11/h5,8-11,16H,3-4,6-7H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 492n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330269
PNG
(4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylp...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H24N6/c1-11(2)15-13(10-18-21-15)14-4-7-17-16(20-14)19-12-5-8-22(3)9-6-12/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
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n/an/a 517n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330273
PNG
(4-{6-[4-(3-Methyl-1H-pyrazol-4-yl)-pyrimidin-2-yla...)
Show SMILES Cc1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H20N8/c1-12-14(11-21-24-12)15-4-5-19-17(22-15)23-16-3-2-13(10-20-16)25-8-6-18-7-9-25/h2-5,10-11,18H,6-9H2,1H3,(H,21,24)(H,19,20,22,23)
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n/an/a 532n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330264
PNG
(CHEMBL1271511 | [5-Bromo-4-(3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-12(8-19-22-14)15-13(17)9-18-16(21-15)20-11-4-6-23(3)7-5-11/h8-11H,4-7H2,1-3H3,(H,19,22)(H,18,20,21)
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n/an/a 540n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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n/an/a 557n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50330266
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H24N8/c1-13(2)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,7-10H2,1-2H3,(H,23,26)(H,21,22,24,25)
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n/an/a 591n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA relative to total pRb level


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330272
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(pyridin-2-yl)py...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccccn2)n1
Show InChI InChI=1S/C15H16N6/c1-10(2)14-11(9-18-21-14)12-6-8-17-15(19-12)20-13-5-3-4-7-16-13/h3-10H,1-2H3,(H,18,21)(H,16,17,19,20)
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n/an/a 672n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330289
PNG
(CHEMBL1269113 | Cyclohexyl-[4-(3-methyl-1H-pyrazol...)
Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C14H19N5/c1-10-12(9-16-19-10)13-7-8-15-14(18-13)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,19)(H,15,17,18)
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n/an/a 676n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50330264
PNG
(CHEMBL1271511 | [5-Bromo-4-(3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-12(8-19-22-14)15-13(17)9-18-16(21-15)20-11-4-6-23(3)7-5-11/h8-11H,4-7H2,1-3H3,(H,19,22)(H,18,20,21)
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n/an/a 737n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330277
PNG
(CHEMBL1271725 | {4-[3-(4-Fluoro-phenyl)-1H-pyrazol...)
Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C22H21FN8/c23-16-3-1-15(2-4-16)21-18(14-27-30-21)19-7-8-25-22(28-19)29-20-6-5-17(13-26-20)31-11-9-24-10-12-31/h1-8,13-14,24H,9-12H2,(H,27,30)(H,25,26,28,29)
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n/an/a 742n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330291
PNG
(CHEMBL1272327 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-p...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1
Show InChI InChI=1S/C15H22N6/c1-10(2)14-12(9-18-21-14)13-5-8-17-15(20-13)19-11-3-6-16-7-4-11/h5,8-11,16H,3-4,6-7H2,1-2H3,(H,18,21)(H,17,19,20)
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n/an/a 828n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330288
PNG
(CHEMBL1269112 | Cyclopentyl-[4-(3-methyl-1H-pyrazo...)
Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C13H17N5/c1-9-11(8-15-18-9)12-6-7-14-13(17-12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,14,16,17)
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n/an/a 936n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330281
PNG
(CHEMBL1271899 | {4-[5-Chloro-3-isopropyl-1-(2-trim...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C20H25ClN8/c1-13(2)18-17(19(21)27-26-18)15-6-7-22-20(24-15)25-16-5-4-14(12-23-16)29-10-8-28(3)9-11-29/h4-7,12-13H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
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n/an/a 949n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330272
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(pyridin-2-yl)py...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccccn2)n1
Show InChI InChI=1S/C15H16N6/c1-10(2)14-11(9-18-21-14)12-6-8-17-15(19-12)20-13-5-3-4-7-16-13/h3-10H,1-2H3,(H,18,21)(H,16,17,19,20)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330280
PNG
(CHEMBL1271843 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2cnc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-3-4-21-18(24-12)25-13-9-23-14(10-22-13)28-7-5-20-6-8-28/h3-4,9-11,20H,5-8H2,1-2H3,(H,26,27)(H,21,22,24,25)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330267
PNG
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330279
PNG
(CHEMBL1271842 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1
Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-5-6-21-18(22-12)23-13-3-4-14(25-24-13)28-9-7-20-8-10-28/h3-6,11,20H,7-10H2,1-2H3,(H,26,27)(H,21,22,23,24)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330284
PNG
(CHEMBL1272010 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@H](C)C2)n1 |r|
Show InChI InChI=1S/C20H25ClN8/c1-12(2)18-17(19(21)28-27-18)15-6-7-23-20(25-15)26-16-5-4-14(10-24-16)29-9-8-22-13(3)11-29/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,27,28)(H,23,24,25,26)/t13-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330288
PNG
(CHEMBL1269112 | Cyclopentyl-[4-(3-methyl-1H-pyrazo...)
Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C13H17N5/c1-9-11(8-15-18-9)12-6-7-14-13(17-12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,14,16,17)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330283
PNG
(CHEMBL1271954 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@@H](C)C2)n1 |r|
Show InChI InChI=1S/C20H25ClN8/c1-12(2)18-17(19(21)28-27-18)15-6-7-23-20(25-15)26-16-5-4-14(10-24-16)29-9-8-22-13(3)11-29/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,27,28)(H,23,24,25,26)/t13-/m0/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330264
PNG
(CHEMBL1271511 | [5-Bromo-4-(3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-12(8-19-22-14)15-13(17)9-18-16(21-15)20-11-4-6-23(3)7-5-11/h8-11H,4-7H2,1-3H3,(H,19,22)(H,18,20,21)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50330263
PNG
(4-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)-pyrimidin...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C17H26N6/c1-11(2)16-15(12(3)21-22-16)14-5-8-18-17(20-14)19-13-6-9-23(4)10-7-13/h5,8,11,13H,6-7,9-10H2,1-4H3,(H,21,22)(H,18,19,20)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330282
PNG
(2-(4-{6-[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(CCO)CC2)n1
Show InChI InChI=1S/C21H27ClN8O/c1-14(2)19-18(20(22)28-27-19)16-5-6-23-21(25-16)26-17-4-3-15(13-24-17)30-9-7-29(8-10-30)11-12-31/h3-6,13-14,31H,7-12H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330268
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(pip...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
Show InChI InChI=1S/C20H24ClN7/c1-12(2)18-17(19(21)28-27-18)15-7-10-23-20(25-15)26-16-4-3-14(11-24-16)13-5-8-22-9-6-13/h3-4,7,10-13,22H,5-6,8-9H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330264
PNG
(CHEMBL1271511 | [5-Bromo-4-(3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-12(8-19-22-14)15-13(17)9-18-16(21-15)20-11-4-6-23(3)7-5-11/h8-11H,4-7H2,1-3H3,(H,19,22)(H,18,20,21)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330288
PNG
(CHEMBL1269112 | Cyclopentyl-[4-(3-methyl-1H-pyrazo...)
Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C13H17N5/c1-9-11(8-15-18-9)12-6-7-14-13(17-12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,14,16,17)
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n/an/a 2.72E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330285
PNG
(CHEMBL1272011 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNC(C)(C)C2)n1
Show InChI InChI=1S/C21H27ClN8/c1-13(2)18-17(19(22)29-28-18)15-7-8-23-20(26-15)27-16-6-5-14(11-24-16)30-10-9-25-21(3,4)12-30/h5-8,11,13,25H,9-10,12H2,1-4H3,(H,28,29)(H,23,24,26,27)
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n/an/a 2.79E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330270
PNG
(CHEMBL1271509 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-5...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
Show InChI InChI=1S/C17H26N6/c1-11(2)15-14(10-19-22-15)16-12(3)9-18-17(21-16)20-13-5-7-23(4)8-6-13/h9-11,13H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
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n/an/a 3.03E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330281
PNG
(CHEMBL1271899 | {4-[5-Chloro-3-isopropyl-1-(2-trim...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C20H25ClN8/c1-13(2)18-17(19(21)27-26-18)15-6-7-22-20(24-15)25-16-5-4-14(12-23-16)29-10-8-28(3)9-11-29/h4-7,12-13H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
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n/an/a 3.07E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330280
PNG
(CHEMBL1271843 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2cnc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-3-4-21-18(24-12)25-13-9-23-14(10-22-13)28-7-5-20-6-8-28/h3-4,9-11,20H,5-8H2,1-2H3,(H,26,27)(H,21,22,24,25)
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n/an/a 3.17E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330289
PNG
(CHEMBL1269113 | Cyclohexyl-[4-(3-methyl-1H-pyrazol...)
Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C14H19N5/c1-10-12(9-16-19-10)13-7-8-15-14(18-13)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,19)(H,15,17,18)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330289
PNG
(CHEMBL1269113 | Cyclohexyl-[4-(3-methyl-1H-pyrazol...)
Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C14H19N5/c1-10-12(9-16-19-10)13-7-8-15-14(18-13)17-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,19)(H,15,17,18)
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n/an/a 3.48E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330279
PNG
(CHEMBL1271842 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(nn2)N2CCNCC2)n1
Show InChI InChI=1S/C18H22ClN9/c1-11(2)16-15(17(19)27-26-16)12-5-6-21-18(22-12)23-13-3-4-14(25-24-13)28-9-7-20-8-10-28/h3-6,11,20H,7-10H2,1-2H3,(H,26,27)(H,21,22,23,24)
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n/an/a 3.48E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330286
PNG
(CHEMBL1272065 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CC(C)NC(C)C2)n1
Show InChI InChI=1S/C21H27ClN8/c1-12(2)19-18(20(22)29-28-19)16-7-8-23-21(26-16)27-17-6-5-15(9-24-17)30-10-13(3)25-14(4)11-30/h5-9,12-14,25H,10-11H2,1-4H3,(H,28,29)(H,23,24,26,27)
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n/an/a 3.63E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330287
PNG
(CHEMBL1272066 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@@H](C)C3)cn2)n1 |r|
Show InChI InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 3.86E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330260
PNG
(CHEMBL1272115 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@H](C)C3)cn2)n1 |r|
Show InChI InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m1/s1
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n/an/a 4.14E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330270
PNG
(CHEMBL1271509 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-5...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
Show InChI InChI=1S/C17H26N6/c1-11(2)15-14(10-19-22-15)16-12(3)9-18-17(21-16)20-13-5-7-23(4)8-6-13/h9-11,13H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
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n/an/a 4.18E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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n/an/a 5.27E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330274
PNG
((5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H17F3N8/c18-17(19,20)15-12(10-24-27-15)13-3-4-22-16(25-13)26-14-2-1-11(9-23-14)28-7-5-21-6-8-28/h1-4,9-10,21H,5-8H2,(H,24,27)(H,22,23,25,26)
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n/an/a 5.42E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330266
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H24N8/c1-13(2)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,7-10H2,1-2H3,(H,23,26)(H,21,22,24,25)
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n/an/a 5.58E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330267
PNG
(4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 6.33E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330266
PNG
(4-(3-Isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H24N8/c1-13(2)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,7-10H2,1-2H3,(H,23,26)(H,21,22,24,25)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330268
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(pip...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)C2CCNCC2)n1
Show InChI InChI=1S/C20H24ClN7/c1-12(2)18-17(19(21)28-27-18)15-7-10-23-20(25-15)26-16-4-3-14(11-24-16)13-5-8-22-9-6-13/h3-4,7,10-13,22H,5-6,8-9H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 7.02E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50330263
PNG
(4-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)-pyrimidin...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C17H26N6/c1-11(2)16-15(12(3)21-22-16)14-5-8-18-17(20-14)19-13-6-9-23(4)10-7-13/h5,8,11,13H,6-7,9-10H2,1-4H3,(H,21,22)(H,18,19,20)
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n/an/a 7.77E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330284
PNG
(CHEMBL1272010 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@H](C)C2)n1 |r|
Show InChI InChI=1S/C20H25ClN8/c1-12(2)18-17(19(21)28-27-18)15-6-7-23-20(25-15)26-16-5-4-14(10-24-16)29-9-8-22-13(3)11-29/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,27,28)(H,23,24,25,26)/t13-/m1/s1
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n/an/a 8.26E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330282
PNG
(2-(4-{6-[4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN(CCO)CC2)n1
Show InChI InChI=1S/C21H27ClN8O/c1-14(2)19-18(20(22)28-27-19)16-5-6-23-21(25-16)26-17-4-3-15(13-24-17)30-9-7-29(8-10-30)11-12-31/h3-6,13-14,31H,7-12H2,1-2H3,(H,27,28)(H,23,24,25,26)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKBalpha


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDK1


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAPK2


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-MET


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDK1


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAPK5


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAPK5


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of c-MET


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Lysyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKBalpha


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAPK2


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of JAK1


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR4


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR4


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330274
PNG
((5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H17F3N8/c18-17(19,20)15-12(10-24-27-15)13-3-4-22-16(25-13)26-14-2-1-11(9-23-14)28-7-5-21-6-8-28/h1-4,9-10,21H,5-8H2,(H,24,27)(H,22,23,25,26)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330285
PNG
(CHEMBL1272011 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNC(C)(C)C2)n1
Show InChI InChI=1S/C21H27ClN8/c1-13(2)18-17(19(22)29-28-18)15-7-8-23-20(26-15)27-16-6-5-14(11-24-16)30-10-9-25-21(3,4)12-30/h5-8,11,13,25H,9-10,12H2,1-4H3,(H,28,29)(H,23,24,26,27)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330283
PNG
(CHEMBL1271954 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCN[C@@H](C)C2)n1 |r|
Show InChI InChI=1S/C20H25ClN8/c1-12(2)18-17(19(21)28-27-18)15-6-7-23-20(25-15)26-16-5-4-14(10-24-16)29-9-8-22-13(3)11-29/h4-7,10,12-13,22H,8-9,11H2,1-3H3,(H,27,28)(H,23,24,25,26)/t13-/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330286
PNG
(CHEMBL1272065 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CC(C)NC(C)C2)n1
Show InChI InChI=1S/C21H27ClN8/c1-12(2)19-18(20(22)29-28-19)16-7-8-23-21(26-16)27-17-6-5-15(9-24-17)30-10-13(3)25-14(4)11-30/h5-9,12-14,25H,10-11H2,1-4H3,(H,28,29)(H,23,24,26,27)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330278
PNG
(CHEMBL1271784 | [4-(5-Isopropyl-3-methyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8/c1-13(2)19-18(14(3)26-27-19)16-6-7-22-20(24-16)25-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330260
PNG
(CHEMBL1272115 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@H](C)C3)cn2)n1 |r|
Show InChI InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m1/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330273
PNG
(4-{6-[4-(3-Methyl-1H-pyrazol-4-yl)-pyrimidin-2-yla...)
Show SMILES Cc1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H20N8/c1-12-14(11-21-24-12)15-4-5-19-17(22-15)23-16-3-2-13(10-20-16)25-8-6-18-7-9-25/h2-5,10-11,18H,6-9H2,1H3,(H,21,24)(H,19,20,22,23)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330273
PNG
(4-{6-[4-(3-Methyl-1H-pyrazol-4-yl)-pyrimidin-2-yla...)
Show SMILES Cc1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H20N8/c1-12-14(11-21-24-12)15-4-5-19-17(22-15)23-16-3-2-13(10-20-16)25-8-6-18-7-9-25/h2-5,10-11,18H,6-9H2,1H3,(H,21,24)(H,19,20,22,23)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330276
PNG
(CHEMBL1271724 | [4-(3-tert-Butyl-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8/c1-20(2,3)18-15(13-24-27-18)16-6-7-22-19(25-16)26-17-5-4-14(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27)(H,22,23,25,26)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330278
PNG
(CHEMBL1271784 | [4-(5-Isopropyl-3-methyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8/c1-13(2)19-18(14(3)26-27-19)16-6-7-22-20(24-16)25-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,26,27)(H,22,23,24,25)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330277
PNG
(CHEMBL1271725 | {4-[3-(4-Fluoro-phenyl)-1H-pyrazol...)
Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C22H21FN8/c23-16-3-1-15(2-4-16)21-18(14-27-30-21)19-7-8-25-22(28-19)29-20-6-5-17(13-26-20)31-11-9-24-10-12-31/h1-8,13-14,24H,9-12H2,(H,27,30)(H,25,26,28,29)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330262
PNG
(CHEMBL1272171 | N*6'*-[4-(5-Isopropyl-3-trifluorom...)
Show SMILES CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N8/c1-14(2)20-19(21(32-31-20)23(24,25)26)17-7-10-27-22(29-17)30-18-6-5-16(13-28-18)34-11-8-15(9-12-34)33(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,31,32)(H,27,28,29,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330263
PNG
(4-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)-pyrimidin...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C17H26N6/c1-11(2)16-15(12(3)21-22-16)14-5-8-18-17(20-14)19-13-6-9-23(4)10-7-13/h5,8,11,13H,6-7,9-10H2,1-4H3,(H,21,22)(H,18,19,20)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330261
PNG
(4-(5-Chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
Show InChI InChI=1S/C22H29ClN8/c1-14(2)20-19(21(23)29-28-20)17-7-10-24-22(26-17)27-18-6-5-16(13-25-18)31-11-8-15(9-12-31)30(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3,(H,28,29)(H,24,25,26,27)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330277
PNG
(CHEMBL1271725 | {4-[3-(4-Fluoro-phenyl)-1H-pyrazol...)
Show SMILES Fc1ccc(cc1)-c1n[nH]cc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C22H21FN8/c23-16-3-1-15(2-4-16)21-18(14-27-30-21)19-7-8-25-22(28-19)29-20-6-5-17(13-26-20)31-11-9-24-10-12-31/h1-8,13-14,24H,9-12H2,(H,27,30)(H,25,26,28,29)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330287
PNG
(CHEMBL1272066 | [4-(5-Chloro-3-isopropyl-1H-pyrazo...)
Show SMILES CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(CN3CCN[C@@H](C)C3)cn2)n1 |r|
Show InChI InChI=1S/C21H27ClN8/c1-13(2)19-18(20(22)29-28-19)16-6-7-24-21(26-16)27-17-5-4-15(10-25-17)12-30-9-8-23-14(3)11-30/h4-7,10,13-14,23H,8-9,11-12H2,1-3H3,(H,28,29)(H,24,25,26,27)/t14-/m0/s1
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330276
PNG
(CHEMBL1271724 | [4-(3-tert-Butyl-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)(C)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8/c1-20(2,3)18-15(13-24-27-18)16-6-7-22-19(25-16)26-17-5-4-14(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27)(H,22,23,25,26)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330263
PNG
(4-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)-pyrimidin...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C17H26N6/c1-11(2)16-15(12(3)21-22-16)14-5-8-18-17(20-14)19-13-6-9-23(4)10-7-13/h5,8,11,13H,6-7,9-10H2,1-4H3,(H,21,22)(H,18,19,20)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330275
PNG
(CHEMBL1271671 | [4-(3-Cyclopropyl-1H-pyrazol-4-yl)...)
Show SMILES C1CC1c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N8/c1-2-13(1)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,1-2,7-10H2,(H,23,26)(H,21,22,24,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330275
PNG
(CHEMBL1271671 | [4-(3-Cyclopropyl-1H-pyrazol-4-yl)...)
Show SMILES C1CC1c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N8/c1-2-13(1)18-15(12-23-26-18)16-5-6-21-19(24-16)25-17-4-3-14(11-22-17)27-9-7-20-8-10-27/h3-6,11-13,20H,1-2,7-10H2,(H,23,26)(H,21,22,24,25)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%