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Compile Data Set for Download or QSAR

Found 946 hits with Last Name = 'sharpe' and Initial = 'a'   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227334
PNG
(US9328106, 285)
Show SMILES CCOc1ccc(F)c(-c2nc(cs2)C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c1F |r|
Show InChI InChI=1/C22H24F3N5O3S/c1-3-32-16-6-4-11(23)18(19(16)25)22-29-15(10-34-22)21(31)28-14-8-27-30(2)20(14)17-7-5-13(26)12(24)9-33-17/h4,6,8,10,12-13,17H,3,5,7,9,26H2,1-2H3,(H,28,31)/t12-,13-,17+/s2
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0.00100 -68.5n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227253
PNG
(US9328106, 204)
Show SMILES Cn1ncc(NC(=O)c2ccc(F)c(n2)-c2c(F)cc(cc2F)C2(O)CC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r,wU:31.35,wD:28.31,33.37,(-5.58,4.02,;-5.58,2.48,;-6.83,1.58,;-6.35,.11,;-4.81,.11,;-4.04,-1.22,;-4.04,-2.76,;-5.38,-3.53,;-2.71,-3.53,;-2.71,-5.07,;-1.38,-5.84,;-.04,-5.07,;1.29,-5.84,;-.04,-3.53,;-1.38,-2.76,;1.29,-2.76,;1.29,-1.22,;-.04,-.45,;2.62,-.45,;3.96,-1.22,;3.96,-2.76,;2.62,-3.53,;2.62,-5.07,;5.29,-.45,;6.06,-1.78,;6.83,-.45,;6.06,.88,;-4.34,1.58,;-3.01,2.35,;-3.01,3.89,;-1.8,4.85,;-.3,4.51,;.47,5.84,;.37,3.12,;1.86,2.72,;-.3,1.73,;-1.8,1.39,)|
Show InChI InChI=1/C25H25F4N5O3/c1-34-23(20-5-3-17(30)16(29)11-37-20)19(10-31-34)33-24(35)18-4-2-13(26)22(32-18)21-14(27)8-12(9-15(21)28)25(36)6-7-25/h2,4,8-10,16-17,20,36H,3,5-7,11,30H2,1H3,(H,33,35)/t16-,17-,20+/s2
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0.00100 -68.5n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227278
PNG
(US9328106, 229)
Show SMILES COc1ccc(F)c(-c2nc(cs2)C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c1F |r|
Show InChI InChI=1/C21H22F3N5O3S/c1-29-19(16-6-4-12(25)11(23)8-32-16)13(7-26-29)27-20(30)14-9-33-21(28-14)17-10(22)3-5-15(31-2)18(17)24/h3,5,7,9,11-12,16H,4,6,8,25H2,1-2H3,(H,27,30)/t11-,12-,16+/s2
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0.00100 -68.5n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227169
PNG
(US9328106, 117)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@@]12CC[C@@H](O1)[C@@H](N)CC2 |r|
Show InChI InChI=1/C21H22F2N6O2S/c1-29-17(21-7-5-12(24)14(31-21)6-8-21)13(9-26-29)27-19(30)16-18(25)32-20(28-16)15-10(22)3-2-4-11(15)23/h2-4,9,12,14H,5-8,24-25H2,1H3,(H,27,30)/t12-,14+,21+/s2
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0.00200 -66.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227443
PNG
(US9328106, 396)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-n2cc3ccccc3n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C21H22FN7O2S/c1-28-19(18-7-6-14(23)13(22)10-31-18)16(8-24-28)25-20(30)17-11-32-21(26-17)29-9-12-4-2-3-5-15(12)27-29/h2-5,8-9,11,13-14,18H,6-7,10,23H2,1H3,(H,25,30)/t13-,14-,18+/s2
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0.00200 -66.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110726
PNG
(US8614206, 252 | US8614206, 254 | US8614206, 352 |...)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C22H27F2N7O2S/c1-22(33-3)9-12(25)7-8-31(11-22)21-15(10-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-13(23)5-4-6-14(16)24/h4-6,10,12H,7-9,11,25-26H2,1-3H3,(H,28,32)
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0.00200n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110798
PNG
(US8614206, 347)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)ccc(I)c2F)c1N1CC[C@H](N)CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H20F4IN7OS/c1-31-19(32-5-4-9(26)6-20(23,24)8-32)12(7-28-31)29-17(33)15-16(27)34-18(30-15)13-10(21)2-3-11(25)14(13)22/h2-3,7,9H,4-6,8,26-27H2,1H3,(H,29,33)/t9-/m0/s1
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0.00200n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110797
PNG
(US8614206, 346)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)ccc(I)c2F)c1N1CC[C@@H](N)CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H20F4IN7OS/c1-31-19(32-5-4-9(26)6-20(23,24)8-32)12(7-28-31)29-17(33)15-16(27)34-18(30-15)13-10(21)2-3-11(25)14(13)22/h2-3,7,9H,4-6,8,26-27H2,1H3,(H,29,33)/t9-/m1/s1
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0.00200n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227362
PNG
(US9328106, 313)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2ccc(Cl)cc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C20H20ClF2N5O2S/c1-28-18(17-5-4-14(24)13(23)8-30-17)15(7-25-28)26-19(29)16-9-31-20(27-16)11-3-2-10(21)6-12(11)22/h2-3,6-7,9,13-14,17H,4-5,8,24H2,1H3,(H,26,29)/t13-,14-,17+/s2
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0.00200 -66.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227267
PNG
(US9328106, 218)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(O[C@H]3CCOC3)cc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C24H26F3N5O4S/c1-32-22(20-3-2-17(28)16(27)10-35-20)18(8-29-32)30-23(33)19-11-37-24(31-19)21-14(25)6-13(7-15(21)26)36-12-4-5-34-9-12/h6-8,11-12,16-17,20H,2-5,9-10,28H2,1H3,(H,30,33)/t12-,16+,17+,20-/s2
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0.00224 -66.5n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227440
PNG
(US9328106, 393)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2ccc(cc2F)C2(C)COC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C24H27F2N5O3S/c1-24(11-33-12-24)13-3-4-14(15(25)7-13)23-30-19(10-35-23)22(32)29-18-8-28-31(2)21(18)20-6-5-17(27)16(26)9-34-20/h3-4,7-8,10,16-17,20H,5-6,9,11-12,27H2,1-2H3,(H,29,32)/t16-,17-,20+/s2
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0.00300 -65.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110938
PNG
(US8614206, 495)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(C)(N)CC(F)(F)C1
Show InChI InChI=1S/C21H23F4N7OS/c1-20(27)6-7-32(10-21(24,25)9-20)19-13(8-28-31(19)2)29-17(33)15-16(26)34-18(30-15)14-11(22)4-3-5-12(14)23/h3-5,8H,6-7,9-10,26-27H2,1-2H3,(H,29,33)
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0.00300n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227361
PNG
(US9328106, 312)
Show SMILES Cc1cc(F)c(-c2nc(cs2)C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(F)c1 |r|
Show InChI InChI=1/C21H22F3N5O2S/c1-10-5-11(22)18(12(23)6-10)21-28-16(9-32-21)20(30)27-15-7-26-29(2)19(15)17-4-3-14(25)13(24)8-31-17/h5-7,9,13-14,17H,3-4,8,25H2,1-2H3,(H,27,30)/t13-,14-,17+/s2
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0.00300 -65.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50053685
PNG
(CHEMBL3318855 | US9328106, 341)
Show SMILES C[C@H]1O[C@H](C[C@@H](N)[C@]1(C)O)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnn1C |r|
Show InChI InChI=1/C21H23F2N5O3S/c1-10-21(2,30)16(24)7-15(31-10)18-13(8-25-28(18)3)26-19(29)14-9-32-20(27-14)17-11(22)5-4-6-12(17)23/h4-6,8-10,15-16,30H,7,24H2,1-3H3,(H,26,29)/t10-,15-,16-,21-/s2
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0.00300 -65.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227381
PNG
(US9328106, 332)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)ccc(F)c2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C20H20F4N6O2S/c1-30-17(13-5-4-11(25)10(23)7-32-13)12(6-27-30)28-19(31)16-18(26)33-20(29-16)14-8(21)2-3-9(22)15(14)24/h2-3,6,10-11,13H,4-5,7,25-26H2,1H3,(H,28,31)/t10-,11-,13+/s2
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0.00300 -65.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227266
PNG
(US9328106, 217)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(O[C@@H]3CCOC3)cc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C24H26F3N5O4S/c1-32-22(20-3-2-17(28)16(27)10-35-20)18(8-29-32)30-23(33)19-11-37-24(31-19)21-14(25)6-13(7-15(21)26)36-12-4-5-34-9-12/h6-8,11-12,16-17,20H,2-5,9-10,28H2,1H3,(H,30,33)/t12-,16-,17-,20+/s2
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0.00300 -65.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227173
PNG
(US9328106, 121)
Show SMILES C[C@@H]1C[C@@H](N)CC[C@@H](O1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C |r|
Show InChI InChI=1/C21H24F2N6O2S/c1-10-8-11(24)6-7-15(31-10)18-14(9-26-29(18)2)27-20(30)17-19(25)32-21(28-17)16-12(22)4-3-5-13(16)23/h3-5,9-11,15H,6-8,24-25H2,1-2H3,(H,27,30)/t10-,11+,15-/s2
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0.00300 -65.8n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110712
PNG
(US8614206, 167)
Show SMILES CN=C(C(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C=N)N1CC[C@@H](N)CC(F)(F)C1 |r,w:1.0|
Show InChI InChI=1S/C20H23F4N7OS/c1-28-17(31-6-5-10(26)7-20(23,24)9-31)13(8-25)29-18(32)15-16(27)33-19(30-15)14-11(21)3-2-4-12(14)22/h2-4,8,10,13,25H,5-7,9,26-27H2,1H3,(H,29,32)/t10-,13?/m1/s1
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0.00300n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227227
PNG
(US9328106, 177)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C20H21F3N6O2S/c1-29-17(14-6-5-12(24)11(23)8-31-14)13(7-26-29)27-19(30)16-18(25)32-20(28-16)15-9(21)3-2-4-10(15)22/h2-4,7,11-12,14H,5-6,8,24-25H2,1H3,(H,27,30)/t11-,12-,14+/s2
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0.00342 -65.4n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227230
PNG
(US9328106, 181)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cccc(F)c2F)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 |r|
Show InChI InChI=1/C20H21F3N6O2S/c1-29-17(14-6-5-12(24)11(22)8-31-14)13(7-26-29)27-19(30)16-18(25)32-20(28-16)9-3-2-4-10(21)15(9)23/h2-4,7,11-12,14H,5-6,8,24-25H2,1H3,(H,27,30)/t11-,12+,14-/s2
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0.00400 -65.1n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227445
PNG
(US9328106, 398)
Show SMILES Cc1cccnc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(N)s1 |r|
Show InChI InChI=1/C20H24FN7O2S/c1-10-4-3-7-24-15(10)20-27-16(18(23)31-20)19(29)26-13-8-25-28(2)17(13)14-6-5-12(22)11(21)9-30-14/h3-4,7-8,11-12,14H,5-6,9,22-23H2,1-2H3,(H,26,29)/t11-,12-,14+/s2
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0.00400 -65.1n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227309
PNG
(US9328106, 260)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)ccc(F)c2F)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 |r|
Show InChI InChI=1/C20H20F4N6O2S/c1-30-17(13-5-4-11(25)10(23)7-32-13)12(6-27-30)28-19(31)16-18(26)33-20(29-16)14-8(21)2-3-9(22)15(14)24/h2-3,6,10-11,13H,4-5,7,25-26H2,1H3,(H,28,31)/t10-,11+,13-/s2
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0.00400 -65.1n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110701
PNG
(US8614206, 121)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)CC(F)(F)C1
Show InChI InChI=1S/C20H21F4N7OS/c1-30-19(31-6-5-10(25)7-20(23,24)9-31)13(8-27-30)28-17(32)15-16(26)33-18(29-15)14-11(21)3-2-4-12(14)22/h2-4,8,10H,5-7,9,25-26H2,1H3,(H,28,32)
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0.00400n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110749
PNG
(US8614206, 282)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cc(F)ccc2F)c1N1CC[C@H](N)CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H21F4N7OS/c1-30-19(31-5-4-11(25)7-20(23,24)9-31)14(8-27-30)28-17(32)15-16(26)33-18(29-15)12-6-10(21)2-3-13(12)22/h2-3,6,8,11H,4-5,7,9,25-26H2,1H3,(H,28,32)/t11-/m0/s1
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0.00400n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110963
PNG
(US8614206, 520 | US8614206, 521)
Show SMILES COC1C(N)CCN(CC11CC1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C23H27F2N7O2S/c1-31-22(32-9-6-14(26)18(34-2)23(11-32)7-8-23)15(10-28-31)29-20(33)17-19(27)35-21(30-17)16-12(24)4-3-5-13(16)25/h3-5,10,14,18H,6-9,11,26-27H2,1-2H3,(H,29,33)
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0.00400n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227366
PNG
(US9328106, 317)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccccc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C20H22F2N6O2S/c1-28-17(15-7-6-13(23)12(22)9-30-15)14(8-25-28)26-19(29)16-18(24)31-20(27-16)10-4-2-3-5-11(10)21/h2-5,8,12-13,15H,6-7,9,23-24H2,1H3,(H,26,29)/t12-,13-,15+/s2
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0.00509 -64.5n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227171
PNG
(US9328106, 119 | US9328106, 129)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1C1CC[C@@H](N)[C@@H](F)CO1 |r|
Show InChI InChI=1/C20H21F3N6O2S/c1-29-17(14-6-5-12(24)11(23)8-31-14)13(7-26-29)27-19(30)16-18(25)32-20(28-16)15-9(21)3-2-4-10(15)22/h2-4,7,11-12,14H,5-6,8,24-25H2,1H3,(H,27,30)/t11-,12+,14?/s2
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0.00600 -64.1n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50053679
PNG
(CHEMBL3318853 | US9328106, 115)
Show SMILES [H][C@]12CC[C@](CC[C@@H]1N)(O2)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C |r|
Show InChI InChI=1/C21H22F2N6O2S/c1-29-17(21-7-5-12(24)14(31-21)6-8-21)13(9-26-29)27-19(30)16-18(25)32-20(28-16)15-10(22)3-2-4-11(15)23/h2-4,9,12,14H,5-8,24-25H2,1H3,(H,27,30)/t12-,14-,21-/s2
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0.00600 -64.1n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110906
PNG
(US8614206, 459)
Show SMILES COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC(N)CC(F)(F)C3)c(N)s2)c(F)c1
Show InChI InChI=1S/C21H23F4N7O2S/c1-31-20(32-4-3-10(26)7-21(24,25)9-32)14(8-28-31)29-18(33)16-17(27)35-19(30-16)15-12(22)5-11(34-2)6-13(15)23/h5-6,8,10H,3-4,7,9,26-27H2,1-2H3,(H,29,33)
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0.00600n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110820
PNG
(US8614206, 371 | US8614206, 372)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(O)CC(F)(F)C1
Show InChI InChI=1S/C20H20F4N6O2S/c1-29-19(30-6-5-10(31)7-20(23,24)9-30)13(8-26-29)27-17(32)15-16(25)33-18(28-15)14-11(21)3-2-4-12(14)22/h2-4,8,10,31H,5-7,9,25H2,1H3,(H,27,32)
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0.00600n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110711
PNG
(US8614206, 166)
Show SMILES CN=C(C(NC(=O)c1nc(sc1N)-c1c(F)cccc1F)C=N)N1CC[C@H](N)CC(F)(F)C1 |r,w:1.0|
Show InChI InChI=1S/C20H23F4N7OS/c1-28-17(31-6-5-10(26)7-20(23,24)9-31)13(8-25)29-18(32)15-16(27)33-19(30-15)14-11(21)3-2-4-12(14)22/h2-4,8,10,13,25H,5-7,9,26-27H2,1H3,(H,29,32)/t10-,13?/m0/s1
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0.00600n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227245
PNG
(US9328106, 196)
Show SMILES Cn1ncc(NC(=O)c2ccc(F)c(n2)-c2c(F)cc(cc2F)C2(O)CCOCC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r,wU:34.38,wD:31.34,36.40,(-6.15,4.02,;-6.15,2.48,;-7.39,1.58,;-6.92,.11,;-5.38,.11,;-4.61,-1.22,;-4.61,-2.76,;-5.94,-3.53,;-3.27,-3.53,;-3.27,-5.07,;-1.94,-5.84,;-.61,-5.07,;.73,-5.84,;-.61,-3.53,;-1.94,-2.76,;.73,-2.76,;.73,-1.22,;-.61,-.45,;2.06,-.45,;3.39,-1.22,;3.39,-2.76,;2.06,-3.53,;2.06,-5.07,;4.73,-.45,;4.73,-1.99,;6.06,-1.22,;7.39,-.45,;7.39,1.09,;6.06,1.86,;4.73,1.09,;-4.9,1.58,;-3.57,2.35,;-3.57,3.89,;-2.37,4.85,;-.86,4.51,;-.09,5.84,;-.2,3.12,;1.29,2.72,;-.86,1.73,;-2.37,1.39,)|
Show InChI InChI=1/C27H29F4N5O4/c1-36-25(22-5-3-19(32)18(31)13-40-22)21(12-33-36)35-26(37)20-4-2-15(28)24(34-20)23-16(29)10-14(11-17(23)30)27(38)6-8-39-9-7-27/h2,4,10-12,18-19,22,38H,3,5-9,13,32H2,1H3,(H,35,37)/t18-,19-,22+/s2
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0.00600 -64.1n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110767
PNG
(US8614206, 316 | US8614206, 317 | US8614206, 320 |...)
Show SMILES COC1CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C21H25F2N7O2S/c1-29-21(30-7-6-11(24)8-12(10-30)32-2)15(9-26-29)27-19(31)17-18(25)33-20(28-17)16-13(22)4-3-5-14(16)23/h3-5,9,11-12H,6-8,10,24-25H2,1-2H3,(H,27,31)
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0.00700n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227235
PNG
(US9328106, 186)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccccc2F)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 |r|
Show InChI InChI=1/C20H22F2N6O2S/c1-28-17(15-7-6-13(23)12(22)9-30-15)14(8-25-28)26-19(29)16-18(24)31-20(27-16)10-4-2-3-5-11(10)21/h2-5,8,12-13,15H,6-7,9,23-24H2,1H3,(H,26,29)/t12-,13+,15-/s2
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0.00700 -63.7n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110796
PNG
(US8614206, 345)
Show SMILES N[C@@H]1CCN(CC(F)(F)C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C1CC1 |r|
Show InChI InChI=1S/C22H23F4N7OS/c23-13-2-1-3-14(24)16(13)20-31-17(18(28)35-20)19(34)30-15-9-29-33(12-4-5-12)21(15)32-7-6-11(27)8-22(25,26)10-32/h1-3,9,11-12H,4-8,10,27-28H2,(H,30,34)/t11-/m1/s1
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0.00700n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227387
PNG
(US9328106, 338)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cccc(Cl)c2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C20H21ClF2N6O2S/c1-29-17(14-6-5-12(24)11(22)8-31-14)13(7-26-29)27-19(30)16-18(25)32-20(28-16)9-3-2-4-10(21)15(9)23/h2-4,7,11-12,14H,5-6,8,24-25H2,1H3,(H,27,30)/t11-,12-,14+/s2
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0.00700 -63.7n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227407
PNG
(US9328106, 359)
Show SMILES Cn1ncc(NC(=O)c2ccc(F)c(n2)-c2ccc(Cl)cc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C22H21ClF3N5O2/c1-31-21(19-7-5-16(27)15(26)10-33-19)18(9-28-31)30-22(32)17-6-4-13(24)20(29-17)12-3-2-11(23)8-14(12)25/h2-4,6,8-9,15-16,19H,5,7,10,27H2,1H3,(H,30,32)/t15-,16-,19+/s2
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0.00700 -63.7n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227330
PNG
(US9328106, 281)
Show SMILES CO[C@H]1CO[C@@H](CC[C@H]1N)c1c(NC(=O)c2nc(sc2N)-c2cc(Cl)ccc2F)cnn1C |r|
Show InChI InChI=1/C21H24ClFN6O3S/c1-29-18(15-6-5-13(24)16(31-2)9-32-15)14(8-26-29)27-20(30)17-19(25)33-21(28-17)11-7-10(22)3-4-12(11)23/h3-4,7-8,13,15-16H,5-6,9,24-25H2,1-2H3,(H,27,30)/t13-,15+,16+/s2
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0.00700 -63.7n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110722
PNG
(US8614206, 248)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2N)-c2ccccc2F)c1N1CC[C@@H](N)CC(F)(F)C1 |r|
Show InChI InChI=1S/C21H23F3N8O/c1-31-20(32-7-6-12(25)8-21(23,24)11-32)16(10-28-31)30-19(33)17-18(26)27-9-15(29-17)13-4-2-3-5-14(13)22/h2-5,9-10,12H,6-8,11,25H2,1H3,(H2,26,27)(H,30,33)/t12-/m1/s1
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0.00700n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227304
PNG
(US9328106, 255)
Show SMILES Cc1c(cnn1C)-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@@H](F)CO2)c(N)s1 |r|
Show InChI InChI=1/C19H25FN8O2S/c1-9-10(6-23-27(9)2)19-26-15(17(22)31-19)18(29)25-13-7-24-28(3)16(13)14-5-4-12(21)11(20)8-30-14/h6-7,11-12,14H,4-5,8,21-22H2,1-3H3,(H,25,29)/t11-,12+,14-/s2
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0.00700 -63.7n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110857
PNG
(US8614206, 408 | US8614206, 409)
Show SMILES CNC1CCN(CC(F)(F)C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C21H23F4N7OS/c1-27-11-6-7-32(10-21(24,25)8-11)20-14(9-28-31(20)2)29-18(33)16-17(26)34-19(30-16)15-12(22)4-3-5-13(15)23/h3-5,9,11,27H,6-8,10,26H2,1-2H3,(H,29,33)
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0.00700n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227322
PNG
(US9328106, 273)
Show SMILES Cc1cccc(F)c1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@@H](F)CO2)c(N)s1 |r|
Show InChI InChI=1/C21H24F2N6O2S/c1-10-4-3-5-11(22)16(10)21-28-17(19(25)32-21)20(30)27-14-8-26-29(2)18(14)15-7-6-13(24)12(23)9-31-15/h3-5,8,12-13,15H,6-7,9,24-25H2,1-2H3,(H,27,30)/t12-,13+,15-/s2
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0.00700 -63.7n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227264
PNG
(US9328106, 215)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(cc2F)C2(O)CCOC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1/C24H26F3N5O4S/c1-32-21(19-3-2-16(28)15(27)9-36-19)17(8-29-32)30-22(33)18-10-37-23(31-18)20-13(25)6-12(7-14(20)26)24(34)4-5-35-11-24/h6-8,10,15-16,19,34H,2-5,9,11,28H2,1H3,(H,30,33)/t15-,16-,19+,24?/s2
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0.00762 -63.5n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227205
PNG
(US9328106, 154)
Show SMILES CO[C@H]1CO[C@@H](CC[C@H]1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C |r|
Show InChI InChI=1/C21H24F2N6O3S/c1-29-18(14-7-6-12(24)15(31-2)9-32-14)13(8-26-29)27-20(30)17-19(25)33-21(28-17)16-10(22)4-3-5-11(16)23/h3-5,8,12,14-15H,6-7,9,24-25H2,1-2H3,(H,27,30)/t12-,14+,15+/s2
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0.00800 -63.3n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110887
PNG
(US8614206, 438)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cncc2F)c1N1CCC(N)CC(F)(F)C1
Show InChI InChI=1S/C19H20F4N8OS/c1-30-18(31-3-2-9(24)4-19(22,23)8-31)12(7-27-30)28-16(32)14-15(25)33-17(29-14)13-10(20)5-26-6-11(13)21/h5-7,9H,2-4,8,24-25H2,1H3,(H,28,32)
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0.00800n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227160
PNG
(US9328106, 107)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1C12CCC(O1)C(N)CC2
Show InChI InChI=1/C21H22F2N6O2S/c1-29-17(21-7-5-12(24)14(31-21)6-8-21)13(9-26-29)27-19(30)16-18(25)32-20(28-16)15-10(22)3-2-4-11(15)23/h2-4,9,12,14H,5-8,24-25H2,1H3,(H,27,30)
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0.00800 -63.3n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM227354
PNG
(US9328106, 305)
Show SMILES C[C@H](O)c1cc(F)c(-c2nc(cs2)C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c(F)c1 |r|
Show InChI InChI=1/C22H24F3N5O3S/c1-10(31)11-5-12(23)19(13(24)6-11)22-29-17(9-34-22)21(32)28-16-7-27-30(2)20(16)18-4-3-15(26)14(25)8-33-18/h5-7,9-10,14-15,18,31H,3-4,8,26H2,1-2H3,(H,28,32)/t10-,14+,15+,18-/s2
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0.00800 -63.3n/an/an/an/an/a7.225



GENENTECH, INC.

US Patent


Assay Description
LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...


US Patent US9328106 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DBT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110726
PNG
(US8614206, 252 | US8614206, 254 | US8614206, 352 |...)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C22H27F2N7O2S/c1-22(33-3)9-12(25)7-8-31(11-22)21-15(10-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-13(23)5-4-6-14(16)24/h4-6,10,12H,7-9,11,25-26H2,1-3H3,(H,28,32)
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0.00800n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110750
PNG
(US8614206, 283)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cc(F)ccc2F)c1N1CC[C@@H](N)CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H21F4N7OS/c1-30-19(31-5-4-11(25)7-20(23,24)9-31)14(8-27-30)28-17(32)15-16(26)33-18(29-15)12-6-10(21)2-3-13(12)22/h2-3,6,8,11H,4-5,7,9,25-26H2,1H3,(H,28,32)/t11-/m1/s1
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0.00800n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110902
PNG
(US8614206, 455)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cncc2F)c1N1CC[C@@H](N)CC(F)(F)C1 |r|
Show InChI InChI=1S/C19H20F4N8OS/c1-30-18(31-3-2-9(24)4-19(22,23)8-31)12(7-27-30)28-16(32)14-15(25)33-17(29-14)13-10(20)5-26-6-11(13)21/h5-7,9H,2-4,8,24-25H2,1H3,(H,28,32)/t9-/m1/s1
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0.00900n/an/an/an/an/an/a7.2n/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., a...


US Patent US8614206 (2013)


BindingDB Entry DOI: 10.7270/Q2W66JFG
More data for this
Ligand-Target Pair
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