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Compile Data Set for Download or QSAR

Found 363 hits with Last Name = 'matteucci' and Initial = 'm'   
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))
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=1/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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US Patent
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
Show InChI InChI=1/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-/s2
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US Patent
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
Show InChI InChI=1/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-/s2
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US Patent
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))
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
Show InChI InChI=1/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)/b25-8?,28-17-/t10-,13?/s2
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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))
BDBM110938
PNG
(US8614206, 495)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(C)(N)CC(F)(F)C1
Show InChI InChI=1/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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US Patent
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))
BDBM110701
PNG
(US8614206, 121)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)CC(F)(F)C1
Show InChI InChI=1/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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US Patent
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=1/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))
BDBM110749
PNG
(US8614206, 282)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cc(F)ccc2F)c1N1CC[C@H](N)CC(F)(F)C1
Show InChI InChI=1/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-/s2
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US Patent
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))
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
Show InChI InChI=1/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)/b25-8?,28-17-/t10-,13?/s2
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US Patent
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))
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=1/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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US Patent
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=1/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))
BDBM110796
PNG
(US8614206, 345)
Show SMILES N[C@@H]1CCN(CC(F)(F)C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C1CC1
Show InChI InChI=1/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-/s2
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US Patent
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))
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=1/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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US Patent
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))
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=1/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))
BDBM110722
PNG
(US8614206, 248)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2N)-c2ccccc2F)c1N1CC[C@@H](N)CC(F)(F)C1
Show InChI InChI=1/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-/s2
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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))
BDBM110750
PNG
(US8614206, 283)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cc(F)ccc2F)c1N1CC[C@@H](N)CC(F)(F)C1
Show InChI InChI=1/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-/s2
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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))
BDBM110887
PNG
(US8614206, 438)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cncc2F)c1N1CCC(N)CC(F)(F)C1
Show InChI InChI=1/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))
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=1/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))
BDBM110889
PNG
(US8614206, 440 | US8614206, 473 | US8614206, 474)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cncc2F)cnn1C
Show InChI InChI=1/C21H26F2N8O2S/c1-21(33-3)6-11(24)4-5-31(10-21)20-14(9-27-30(20)2)28-18(32)16-17(25)34-19(29-16)15-12(22)7-26-8-13(15)23/h7-9,11H,4-6,10,24-25H2,1-3H3,(H,28,32)
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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
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
Show InChI InChI=1/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-/s2
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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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110754
PNG
(US8614206, 287)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccccc2F)c1N1CC[C@@H](N)CC(F)(F)C1
Show InChI InChI=1/C20H22F3N7OS/c1-29-19(30-7-6-11(24)8-20(22,23)10-30)14(9-26-29)27-17(31)15-16(25)32-18(28-15)12-4-2-3-5-13(12)21/h2-5,9,11H,6-8,10,24-25H2,1H3,(H,27,31)/t11-/s2
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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
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=1/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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0.00900n/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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110730
PNG
(US8614206, 256)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)CC(C)(F)C1
Show InChI InChI=1/C21H24F3N7OS/c1-21(24)8-11(25)6-7-31(10-21)20-14(9-27-30(20)2)28-18(32)16-17(26)33-19(29-16)15-12(22)4-3-5-13(15)23/h3-5,9,11H,6-8,10,25-26H2,1-2H3,(H,28,32)
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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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM110708
PNG
(US8614206, 154)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@H](N)C[C@@H](F)C1
Show InChI InChI=1/C20H22F3N7OS/c1-29-20(30-6-5-11(24)7-10(21)9-30)14(8-26-29)27-18(31)16-17(25)32-19(28-16)15-12(22)3-2-4-13(15)23/h2-4,8,10-11H,5-7,9,24-25H2,1H3,(H,27,31)/t10-,11+/s2
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0.0100n/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))
BDBM110696
PNG
(US8614206, 116)
Show SMILES Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@@H](N)CC3)c(N)s2)c1F
Show InChI InChI=1/C21H25F2N7OS/c1-11-5-6-13(22)15(16(11)23)20-28-17(18(25)32-20)19(31)27-14-10-26-29(2)21(14)30-8-3-4-12(24)7-9-30/h5-6,10,12H,3-4,7-9,24-25H2,1-2H3,(H,27,31)/t12-/s2
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0.0100n/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))
BDBM110895
PNG
(US8614206, 446)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccncc2F)c1N1CC[C@H](N)CC(F)(F)C1
Show InChI InChI=1/C19H21F3N8OS/c1-29-18(30-5-3-10(23)6-19(21,22)9-30)13(8-26-29)27-16(31)14-15(24)32-17(28-14)11-2-4-25-7-12(11)20/h2,4,7-8,10H,3,5-6,9,23-24H2,1H3,(H,27,31)/t10-/s2
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0.0100n/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))
BDBM110753
PNG
(US8614206, 286)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccccc2F)c1N1CC[C@H](N)CC(F)(F)C1
Show InChI InChI=1/C20H22F3N7OS/c1-29-19(30-7-6-11(24)8-20(22,23)10-30)14(9-26-29)27-17(31)15-16(25)32-18(28-15)12-4-2-3-5-13(12)21/h2-5,9,11H,6-8,10,24-25H2,1H3,(H,27,31)/t11-/s2
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0.0100n/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))
BDBM110747
PNG
(US8614206, 280)
Show SMILES N[C@H]1CCN(CC(F)(F)C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1CC(F)F
Show InChI InChI=1/C21H21F6N7OS/c22-11-2-1-3-12(23)15(11)19-32-16(17(29)36-19)18(35)31-13-7-30-34(8-14(24)25)20(13)33-5-4-10(28)6-21(26,27)9-33/h1-3,7,10,14H,4-6,8-9,28-29H2,(H,31,35)/t10-/s2
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0.0100n/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))
BDBM110795
PNG
(US8614206, 344)
Show SMILES N[C@H]1CCN(CC(F)(F)C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C1CC1
Show InChI InChI=1/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-/s2
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0.0100n/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))
BDBM110721
PNG
(US8614206, 247)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2N)-c2ccccc2F)c1N1CC[C@H](N)CC(F)(F)C1
Show InChI InChI=1/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-/s2
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0.0100n/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))
BDBM110900
PNG
(US8614206, 453)
Show SMILES CC1CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/C21H25F2N7OS/c1-11-8-12(24)6-7-30(10-11)21-15(9-26-29(21)2)27-19(31)17-18(25)32-20(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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0.0120n/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))
BDBM110890
PNG
(US8614206, 441 | US8614206, 475 | US8614206, 476)
Show SMILES COC1(C)CC(N)CCN(C1)c1c(NC(=O)c2nc(sc2N)-c2ccncc2F)cnn1C
Show InChI InChI=1/C21H27FN8O2S/c1-21(32-3)8-12(23)5-7-30(11-21)20-15(10-26-29(20)2)27-18(31)16-17(24)33-19(28-16)13-4-6-25-9-14(13)22/h4,6,9-10,12H,5,7-8,11,23-24H2,1-3H3,(H,27,31)
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0.0130n/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))
BDBM110896
PNG
(US8614206, 447)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccncc2F)c1N1CC[C@@H](N)CC(F)(F)C1
Show InChI InChI=1/C19H21F3N8OS/c1-29-18(30-5-3-10(23)6-19(21,22)9-30)13(8-26-29)27-16(31)14-15(24)32-17(28-14)11-2-4-25-7-12(11)20/h2,4,7-8,10H,3,5-6,9,23-24H2,1H3,(H,27,31)/t10-/s2
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0.0140n/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))
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=1/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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0.0140n/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))
BDBM110751
PNG
(US8614206, 284)
Show SMILES Cc1ccc(F)c(c1)-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@H](N)CC(F)(F)C2)c(N)s1
Show InChI InChI=1/C21H24F3N7OS/c1-11-3-4-14(22)13(7-11)19-29-16(17(26)33-19)18(32)28-15-9-27-30(2)20(15)31-6-5-12(25)8-21(23,24)10-31/h3-4,7,9,12H,5-6,8,10,25-26H2,1-2H3,(H,28,32)/t12-/s2
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0.0150n/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=1/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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0.0150n/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))
BDBM110695
PNG
(US8614206, 115)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)ccc(C3CC3)c2F)c1N1CCC[C@@H](N)CC1
Show InChI InChI=1/C23H27F2N7OS/c1-31-23(32-9-2-3-13(26)8-10-32)16(11-28-31)29-21(33)19-20(27)34-22(30-19)17-15(24)7-6-14(18(17)25)12-4-5-12/h6-7,11-13H,2-5,8-10,26-27H2,1H3,(H,29,33)/t13-/s2
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0.0150n/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=1/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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0.0160n/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))
BDBM110752
PNG
(US8614206, 285)
Show SMILES Cc1ccc(F)c(c1)-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)CC(F)(F)C2)c(N)s1
Show InChI InChI=1/C21H24F3N7OS/c1-11-3-4-14(22)13(7-11)19-29-16(17(26)33-19)18(32)28-15-9-27-30(2)20(15)31-6-5-12(25)8-21(23,24)10-31/h3-4,7,9,12H,5-6,8,10,25-26H2,1-2H3,(H,28,32)/t12-/s2
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0.0180n/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))
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=1/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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0.0180n/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))
BDBM110910
PNG
(US8614206, 463)
Show SMILES Cc1c(cnn1C)-c1nc(C(=O)Nc2cnn(C)c2N2CC[C@@H](N)CC(F)(F)C2)c(N)s1
Show InChI InChI=1/C19H25F2N9OS/c1-10-12(7-24-28(10)2)17-27-14(15(23)32-17)16(31)26-13-8-25-29(3)18(13)30-5-4-11(22)6-19(20,21)9-30/h7-8,11H,4-6,9,22-23H2,1-3H3,(H,26,31)/t11-/s2
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0.0180n/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))
BDBM110847
PNG
(US8614206, 398 | US8614206, 399)
Show SMILES NC1CCN(CCC1O)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1CC(F)F
Show InChI InChI=1/C21H23F4N7O2S/c22-10-2-1-3-11(23)16(10)20-30-17(18(27)35-20)19(34)29-13-8-28-32(9-15(24)25)21(13)31-6-4-12(26)14(33)5-7-31/h1-3,8,12,14-15,33H,4-7,9,26-27H2,(H,29,34)
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0.0180n/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))
BDBM110959
PNG
(US8614206, 516)
Show SMILES CO[C@@H]1[C@H](N)CCN(CC11CC1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/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)/t14-,18-/s2
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0.0190n/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))
BDBM110734
PNG
(US8614206, 262)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccccn2)c1N1CC[C@@H](N)CC(F)(F)C1
Show InChI InChI=1/C19H22F2N8OS/c1-28-18(29-7-5-11(22)8-19(20,21)10-29)13(9-25-28)26-16(30)14-15(23)31-17(27-14)12-4-2-3-6-24-12/h2-4,6,9,11H,5,7-8,10,22-23H2,1H3,(H,26,30)/t11-/s2
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0.0190n/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))
BDBM110685
PNG
(US8614206, 105)
Show SMILES Cc1ccc(F)c(c1)-c1nc(C(=O)Nc2cnn(C)c2N2CCNCC(F)(F)C2)c(N)s1
Show InChI InChI=1S/C20H22F3N7OS/c1-11-3-4-13(21)12(7-11)18-28-15(16(24)32-18)17(31)27-14-8-26-29(2)19(14)30-6-5-25-9-20(22,23)10-30/h3-4,7-8,25H,5-6,9-10,24H2,1-2H3,(H,27,31)
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0.0190n/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))
BDBM110748
PNG
(US8614206, 281)
Show SMILES N[C@@H]1CCN(CC(F)(F)C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1CC(F)F
Show InChI InChI=1/C21H21F6N7OS/c22-11-2-1-3-12(23)15(11)19-32-16(17(29)36-19)18(35)31-13-7-30-34(8-14(24)25)20(13)33-5-4-10(28)6-21(26,27)9-33/h1-3,7,10,14H,4-6,8-9,28-29H2,(H,31,35)/t10-/s2
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0.0200n/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))
BDBM110723
PNG
(US8614206, 249)
Show SMILES Cn1ncc(NC(=O)c2nc(ccc2N)-c2ccccc2F)c1N1CC[C@H](N)CC(F)(F)C1
Show InChI InChI=1/C22H24F3N7O/c1-31-21(32-9-8-13(26)10-22(24,25)12-32)18(11-28-31)30-20(33)19-16(27)6-7-17(29-19)14-4-2-3-5-15(14)23/h2-7,11,13H,8-10,12,26-27H2,1H3,(H,30,33)/t13-/s2
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0.0200n/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))
BDBM110860
PNG
(US8614206, 411 | US8614206, 435 | US8614206, 436)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCCC(C)(N)CC1
Show InChI InChI=1/C21H25F2N7OS/c1-21(25)7-4-9-30(10-8-21)20-14(11-26-29(20)2)27-18(31)16-17(24)32-19(28-16)15-12(22)5-3-6-13(15)23/h3,5-6,11H,4,7-10,24-25H2,1-2H3,(H,27,31)
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0.0210n/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))
BDBM110759
PNG
(US8614206, 292)
Show SMILES Cn1ncc(NC(=O)c2nc(ccc2N)-c2ccccc2F)c1N1CCC(N)CC(F)(F)C1
Show InChI InChI=1/C22H24F3N7O/c1-31-21(32-9-8-13(26)10-22(24,25)12-32)18(11-28-31)30-20(33)19-16(27)6-7-17(29-19)14-4-2-3-5-15(14)23/h2-7,11,13H,8-10,12,26-27H2,1H3,(H,30,33)
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0.0210n/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))
BDBM110845
PNG
(US8614206, 396 | US8614206, 397)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC2NCCOC2CC1
Show InChI InChI=1/C22H25F2N7O2S/c1-30-22(31-8-5-14-16(6-9-31)33-10-7-26-14)15(11-27-30)28-20(32)18-19(25)34-21(29-18)17-12(23)3-2-4-13(17)24/h2-4,11,14,16,26H,5-10,25H2,1H3,(H,28,32)
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0.0220n/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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