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Compile Data Set for Download or QSAR

Found 140 hits from Astex Pharmaceuticals, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424547
PNG
(CHEMBL2312144)
Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1)C#N
Show InChI InChI=1S/C25H27N5O2/c1-29-10-12-30(13-11-29)22-6-5-20(16-24(22)32-3)28-25-15-19(8-9-27-25)21-14-18(17-26)4-7-23(21)31-2/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424535
PNG
(CHEMBL2312145)
Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)c1
Show InChI InChI=1S/C24H27ClN4O2/c1-28-10-12-29(13-11-28)21-6-5-19(16-23(21)31-3)27-24-14-17(8-9-26-24)20-15-18(25)4-7-22(20)30-2/h4-9,14-16H,10-13H2,1-3H3,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424536
PNG
(CHEMBL2312143)
Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)c1)C#N
Show InChI InChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)21-6-4-20(5-7-21)27-24-16-19(9-10-26-24)22-15-18(17-25)3-8-23(22)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,27)
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n/an/a 5n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043692
PNG
(CHEMBL3355542 | US10047093, 8-52 | US9416132, 8-52)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C19H20F3N5O/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-24-27-9-8-17(26-18(16)27)25-14-6-4-13(23)5-7-14/h1-3,8-11,13-14H,4-7,23H2,(H,25,26)/t13-,14-
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n/an/a 5n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 5.40n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424537
PNG
(CHEMBL2312142)
Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25N5O/c1-28-10-12-29(13-11-28)22-7-6-21(16-23(22)30-2)27-24-15-20(8-9-26-24)19-5-3-4-18(14-19)17-25/h3-9,14-16H,10-13H2,1-2H3,(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50364776
PNG
(CHEMBL1952141 | CHEMBL1952329)
Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
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n/an/a 7.60n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424533
PNG
(CHEMBL2312148)
Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N
Show InChI InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424534
PNG
(CHEMBL2312147)
Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1)C#N
Show InChI InChI=1S/C23H22N4O2/c1-28-22-7-2-17(16-24)14-21(22)18-8-9-25-23(15-18)26-19-3-5-20(6-4-19)27-10-12-29-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424532
PNG
(CHEMBL2312154)
Show SMILES COc1ccc(cc1-c1ccnc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)c1)C#N
Show InChI InChI=1S/C26H28FN5O/c1-31(2)21-9-12-32(13-10-21)24-6-5-20(16-23(24)27)30-26-15-19(8-11-29-26)22-14-18(17-28)4-7-25(22)33-3/h4-8,11,14-16,21H,9-10,12-13H2,1-3H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043662
PNG
(CHEMBL3355552 | US10047093, 8-56 | US9416132, 8-56)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
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n/an/a 17n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424542
PNG
(CHEMBL2312155)
Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(CCN3CCOCC3)cc2)c1
Show InChI InChI=1S/C24H26ClN3O2/c1-29-23-7-4-20(25)17-22(23)19-8-10-26-24(16-19)27-21-5-2-18(3-6-21)9-11-28-12-14-30-15-13-28/h2-8,10,16-17H,9,11-15H2,1H3,(H,26,27)
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n/an/a 20n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043697
PNG
(CHEMBL3355987 | US10047093, 8-63 | US9416132, 8-63)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C21H25ClN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-26-20(25-19)18(13-23-26)14-4-3-5-16(22)12-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25)/t15-,17-
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n/an/a 23n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043655
PNG
(CHEMBL3355557 | US10047093, 8-95 | US9416132, 8-95)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C18H20ClN5/c19-13-3-1-2-12(10-13)16-11-21-24-9-8-17(23-18(16)24)22-15-6-4-14(20)5-7-15/h1-3,8-11,14-15H,4-7,20H2,(H,22,23)/t14-,15-
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n/an/a 24n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043674
PNG
(CHEMBL3355550 | US10047093, 8-54 | US9416132, 8-54)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-26-9-8-17(25-18(16)26)24-14-4-6-15(27)7-5-14/h1-3,8-11,14-15,27H,4-7H2,(H,24,25)/t14-,15-
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n/an/a 25n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043690
PNG
(CHEMBL3355544 | US10047093, 8-46 | US9416132, 8-46)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25)/t13-,14-
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n/an/a 27n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK-mediated TCF4/beta-catenin transcription in human HCT116 cells by beta-lactamase reporter gene assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424539
PNG
(CHEMBL2312150)
Show SMILES COc1ccc(Cl)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
Show InChI InChI=1S/C23H24ClN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26)
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n/an/a 41n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043693
PNG
(CHEMBL3355541 | US10047093, 8-67 | US9416132, 8-67)
Show SMILES CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
Show InChI InChI=1S/C20H22F3N5O/c1-27-8-5-14(6-9-27)12-24-18-7-10-28-19(26-18)17(13-25-28)15-3-2-4-16(11-15)29-20(21,22)23/h2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3,(H,24,26)
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n/an/a 45n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50043674
PNG
(CHEMBL3355550 | US10047093, 8-54 | US9416132, 8-54)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-26-9-8-17(25-18(16)26)24-14-4-6-15(27)7-5-14/h1-3,8-11,14-15,27H,4-7H2,(H,24,25)/t14-,15-
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n/an/a 53n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Flt3 (unknown origin)


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043663
PNG
(CHEMBL3355551 | US9416132, 8-55)
Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H21F3N4O/c1-19(28)8-5-15(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-14(11-13)20(21,22)23/h2-4,7,10-12,15,28H,5-6,8-9H2,1H3,(H,25,26)/t15-,19-
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n/an/a 54n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424540
PNG
(CHEMBL2312146)
Show SMILES COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCOCC1
Show InChI InChI=1S/C23H22N4O2/c1-28-22-15-20(5-6-21(22)27-9-11-29-12-10-27)26-23-14-19(7-8-25-23)18-4-2-3-17(13-18)16-24/h2-8,13-15H,9-12H2,1H3,(H,25,26)
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n/an/a 55n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424543
PNG
(CHEMBL2312153)
Show SMILES COc1cc(cc(c1)-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1)C#N
Show InChI InChI=1S/C24H24N4O3/c1-29-21-12-17(16-25)11-19(13-21)18-5-6-26-24(14-18)27-20-3-4-22(23(15-20)30-2)28-7-9-31-10-8-28/h3-6,11-15H,7-10H2,1-2H3,(H,26,27)
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n/an/a 63n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437028
PNG
(CHEMBL2403079)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 65n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043658
PNG
(CHEMBL3355553 | US9416132, 8-57)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C20H21F3N4O/c1-28-16-7-5-15(6-8-16)25-18-9-10-27-19(26-18)17(12-24-27)13-3-2-4-14(11-13)20(21,22)23/h2-4,9-12,15-16H,5-8H2,1H3,(H,25,26)/t15-,16-
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n/an/a 66n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043699
PNG
(CHEMBL3355988)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C19H21ClN4O/c1-25-16-7-5-15(6-8-16)22-18-9-10-24-19(23-18)17(12-21-24)13-3-2-4-14(20)11-13/h2-4,9-12,15-16H,5-8H2,1H3,(H,22,23)/t15-,16-
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n/an/a 68n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437027
PNG
(CHEMBL2403080)
Show SMILES COc1cc(Nc2ncc(Br)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)[C@H](C)C1
Show InChI InChI=1S/C25H27BrN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)/t17-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM242411
PNG
(BDBM50043702 | US9416132, 8-96)
Show SMILES N[C@H]1CCCN(C1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C17H18ClN5/c18-13-4-1-3-12(9-13)15-10-20-23-8-6-16(21-17(15)23)22-7-2-5-14(19)11-22/h1,3-4,6,8-10,14H,2,5,7,11,19H2/t14-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437026
PNG
(CHEMBL2403056)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(F)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24ClFN6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(25)23(30-24)17-11-16(5-6-27)12-18(26)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/a 98n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50043692
PNG
(CHEMBL3355542 | US10047093, 8-52 | US9416132, 8-52)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C19H20F3N5O/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-24-27-9-8-17(26-18(16)27)25-14-6-4-13(23)5-7-14/h1-3,8-11,13-14H,4-7,23H2,(H,25,26)/t13-,14-
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n/an/a 100n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437025
PNG
(CHEMBL2403057)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H24Cl2N6O/c1-31-7-9-32(10-8-31)21-4-3-19(14-22(21)33-2)29-24-28-15-20(26)23(30-24)17-11-16(5-6-27)12-18(25)13-17/h3-4,11-15H,5,7-10H2,1-2H3,(H,28,29,30)
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n/an/a 103n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50424538
PNG
(CHEMBL2312140)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C24H25ClN6O/c1-30-10-12-31(13-11-30)21-7-6-19(15-22(21)32-2)28-24-27-16-20(25)23(29-24)18-5-3-4-17(14-18)8-9-26/h3-7,14-16H,8,10-13H2,1-2H3,(H,27,28,29)
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n/an/a 110n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043656
PNG
(CHEMBL3355555 | US10047093, 8-59 | US9416132, 8-59)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2ccc(NCC3CCS(=O)(=O)CC3)nc12
Show InChI InChI=1S/C19H19F3N4O2S/c20-19(21,22)15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-29(27,28)9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25)
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n/an/a 111n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(Homo sapiens (Human))
BDBM50424545
PNG
(CHEMBL2312151)
Show SMILES COc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
Show InChI InChI=1S/C23H24FN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26)
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n/an/a 118n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ADP glo luminescent assay


Bioorg Med Chem Lett 23: 569-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.013
BindingDB Entry DOI: 10.7270/Q2G73G1R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50043697
PNG
(CHEMBL3355987 | US10047093, 8-63 | US9416132, 8-63)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C21H25ClN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-26-20(25-19)18(13-23-26)14-4-3-5-16(22)12-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25)/t15-,17-
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n/an/a 125n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Flt3 (unknown origin)


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437029
PNG
(CHEMBL2403077)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)C(C)C1
Show InChI InChI=1S/C25H27ClN6O/c1-17-16-32(12-11-31(17)2)22-8-7-20(14-23(22)33-3)29-25-28-15-21(26)24(30-25)19-6-4-5-18(13-19)9-10-27/h4-8,13-15,17H,9,11-12,16H2,1-3H3,(H,28,29,30)
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n/an/a 126n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043691
PNG
(CHEMBL3355543 | US10047093, 8-53 | US9416132, 8-53)
Show SMILES N[C@H]1CCCN(C1)c1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-5-1-3-12(9-14)15-10-23-26-8-6-16(24-17(15)26)25-7-2-4-13(22)11-25/h1,3,5-6,8-10,13H,2,4,7,11,22H2/t13-/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043685
PNG
(CHEMBL3355549 | US10047093, 8-51 | US9416132, 8-51)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cnn2ccc(NCC3CCS(=O)(=O)CC3)nc12
Show InChI InChI=1S/C19H19F3N4O3S/c20-19(21,22)29-15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-30(27,28)9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25)
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n/an/a 148n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043657
PNG
(CHEMBL3355554)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2ccc(NCC3CCOCC3)nc12
Show InChI InChI=1S/C19H19F3N4O/c20-19(21,22)15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25)
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n/an/a 149n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50043690
PNG
(CHEMBL3355544 | US10047093, 8-46 | US9416132, 8-46)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C19H19F3N4O2/c20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13/h1-3,8-11,13-14,27H,4-7H2,(H,24,25)/t13-,14-
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n/an/a 157n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Flt3 (unknown origin)


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043695
PNG
(CHEMBL3355990 | US10047093, 8-66 | US9416132, 8-66)
Show SMILES Clc1cccc(c1)-c1cnn2ccc(NCC3CCS(=O)(=O)CC3)nc12
Show InChI InChI=1S/C18H19ClN4O2S/c19-15-3-1-2-14(10-15)16-12-21-23-7-4-17(22-18(16)23)20-11-13-5-8-26(24,25)9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22)
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n/an/a 164n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043696
PNG
(CHEMBL3355991)
Show SMILES Clc1cccc(c1)-c1cnn2ccc(nc12)N1CCC(=O)CC1
Show InChI InChI=1S/C17H15ClN4O/c18-13-3-1-2-12(10-13)15-11-19-22-9-6-16(20-17(15)22)21-7-4-14(23)5-8-21/h1-3,6,9-11H,4-5,7-8H2
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n/an/a 168n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043694
PNG
(CHEMBL3355989)
Show SMILES Clc1cccc(c1)-c1cnn2ccc(NCC3CCOCC3)nc12
Show InChI InChI=1S/C18H19ClN4O/c19-15-3-1-2-14(10-15)16-12-21-23-7-4-17(22-18(16)23)20-11-13-5-8-24-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22)
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n/an/a 186n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043689
PNG
(CHEMBL3355545 | US10047093, 8-48 | US9416132, 8-48)
Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C20H21F3N4O2/c1-19(28)8-5-14(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-15(11-13)29-20(21,22)23/h2-4,7,10-12,14,28H,5-6,8-9H2,1H3,(H,25,26)/t14-,19-
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n/an/a 197n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50043688
PNG
(CHEMBL3355546 | US10047093, 8-47 | US9416132, 8-47)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(OC(F)(F)F)c3)c2n1
Show InChI InChI=1S/C22H25F3N4O2/c1-21(2,30)15-6-8-16(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-17(12-14)31-22(23,24)25/h3-5,10-13,15-16,30H,6-9H2,1-2H3,(H,27,28)/t15-,16-
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n/an/a 204n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50437024
PNG
(CHEMBL2403058)
Show SMILES COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(c2)C#N)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c1-30-5-7-31(8-6-30)20-4-3-18(12-21(20)32-2)28-23-27-14-19(25)22(29-23)16-9-15(13-26)10-17(24)11-16/h3-4,9-12,14H,5-8H2,1-2H3,(H,27,28,29)
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n/an/a 227n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP


Bioorg Med Chem Lett 23: 4072-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.059
BindingDB Entry DOI: 10.7270/Q25M674B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM50043697
PNG
(CHEMBL3355987 | US10047093, 8-63 | US9416132, 8-63)
Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C21H25ClN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-26-20(25-19)18(13-23-26)14-4-3-5-16(22)12-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25)/t15-,17-
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n/an/a 228n/an/an/an/an/an/a



Astex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay


ACS Med Chem Lett 6: 63-7 (2015)


Article DOI: 10.1021/ml500300c
BindingDB Entry DOI: 10.7270/Q2J67JHN
More data for this
Ligand-Target Pair
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