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122 similar compounds to monomer 110796

Compile data set for download or QSAR
Wt: 463.5
BDBM110926
Wt: 491.5
BDBM110932
Wt: 505.5
BDBM110934
Wt: 505.5
BDBM110936
Wt: 464.4
BDBM110937
Wt: 497.5
BDBM110938
Wt: 507.5
BDBM110943
Wt: 497.5
BDBM110954
Wt: 477.5
BDBM110956
Wt: 497.5
BDBM110961
Wt: 479.5
BDBM110962
Wt: 461.5
BDBM110681
Wt: 497.5
BDBM110683
Wt: 497.5
BDBM110684
Wt: 469.4
BDBM110686
Displayed 1 to 15 (of 122 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 110926,110932,110934,110936,110937,110938,110943,110954,110956,110961,110962,110681,110683,110684,110686   
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
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)
PDB
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UniChem

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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))
BDBM110686
PNG
(US8614206, 106)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2cc(F)ccc2F)c1N1CCNCC(F)(F)C1
Show InChI InChI=1S/C19H19F4N7OS/c1-29-18(30-5-4-25-8-19(22,23)9-30)13(7-26-29)27-16(31)14-15(24)32-17(28-14)11-6-10(20)2-3-12(11)21/h2-3,6-7,25H,4-5,8-9,24H2,1H3,(H,27,31)
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US Patent
0.0300n/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))
BDBM110926
PNG
(US8614206, 479)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(O)(CN)CC1
Show InChI InChI=1S/C20H23F2N7O2S/c1-28-19(29-7-5-20(31,10-23)6-8-29)13(9-25-28)26-17(30)15-16(24)32-18(27-15)14-11(21)3-2-4-12(14)22/h2-4,9,31H,5-8,10,23-24H2,1H3,(H,26,30)
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US Patent
0.0330n/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))
BDBM110932
PNG
(US8614206, 485 | US8614206, 502 | US8614206, 503)
Show SMILES COC1(C)CCN(CCC1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/C22H27F2N7O2S/c1-22(33-3)8-10-31(9-7-15(22)25)21-14(11-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-12(23)5-4-6-13(16)24/h4-6,11,15H,7-10,25-26H2,1-3H3,(H,28,32)
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US Patent
0.0350n/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))
BDBM110954
PNG
(US8614206, 511 | US8614206, 512)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)C(CC1)C(F)F
Show InChI InChI=1/C21H23F4N7OS/c1-31-21(32-7-5-10(17(24)25)13(26)6-8-32)14(9-28-31)29-19(33)16-18(27)34-20(30-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13,17H,5-8,26-27H2,1H3,(H,29,33)
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US Patent
0.0360n/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))
BDBM110943
PNG
(US8614206, 500)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)C(O)(CCO)CC1
Show InChI InChI=1/C22H27F2N7O3S/c1-30-21(31-8-5-15(25)22(34,6-9-31)7-10-32)14(11-27-30)28-19(33)17-18(26)35-20(29-17)16-12(23)3-2-4-13(16)24/h2-4,11,15,32,34H,5-10,25-26H2,1H3,(H,28,33)
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US Patent
0.0380n/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))
BDBM110932
PNG
(US8614206, 485 | US8614206, 502 | US8614206, 503)
Show SMILES COC1(C)CCN(CCC1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/C22H27F2N7O2S/c1-22(33-3)8-10-31(9-7-15(22)25)21-14(11-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-12(23)5-4-6-13(16)24/h4-6,11,15H,7-10,25-26H2,1-3H3,(H,28,32)
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US Patent
0.0400n/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))
BDBM110932
PNG
(US8614206, 485 | US8614206, 502 | US8614206, 503)
Show SMILES COC1(C)CCN(CCC1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/C22H27F2N7O2S/c1-22(33-3)8-10-31(9-7-15(22)25)21-14(11-27-30(21)2)28-19(32)17-18(26)34-20(29-17)16-12(23)5-4-6-13(16)24/h4-6,11,15H,7-10,25-26H2,1-3H3,(H,28,32)
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US Patent
0.0470n/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))
BDBM110681
PNG
(US8614206, 101)
Show SMILES CNCC1CCN(CC1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1S/C21H25F2N7OS/c1-25-10-12-6-8-30(9-7-12)21-15(11-26-29(21)2)27-19(31)17-18(24)32-20(28-17)16-13(22)4-3-5-14(16)23/h3-5,11-12,25H,6-10,24H2,1-2H3,(H,27,31)
PDB
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US Patent
0.0480n/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))
BDBM110962
PNG
(US8614206, 519)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(F)C(C)(N)CC1
Show InChI InChI=1/C21H24F3N7OS/c1-21(26)7-9-31(8-6-14(21)24)20-13(10-27-30(20)2)28-18(32)16-17(25)33-19(29-16)15-11(22)4-3-5-12(15)23/h3-5,10,14H,6-9,25-26H2,1-2H3,(H,28,32)
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US Patent
0.0500n/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))
BDBM110956
PNG
(US8614206, 513)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)C(CO)CC1
Show InChI InChI=1/C21H25F2N7O2S/c1-29-21(30-7-5-11(10-31)14(24)6-8-30)15(9-26-29)27-19(32)17-18(25)33-20(28-17)16-12(22)3-2-4-13(16)23/h2-4,9,11,14,31H,5-8,10,24-25H2,1H3,(H,27,32)
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US Patent
0.0580n/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))
BDBM110683
PNG
(US8614206, 103)
Show SMILES N[C@H]1CCCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1CC(F)F
Show InChI InChI=1/C21H23F4N7OS/c22-12-5-3-6-13(23)16(12)20-30-17(18(27)34-20)19(33)29-14-8-28-32(10-15(24)25)21(14)31-7-2-1-4-11(26)9-31/h3,5-6,8,11,15H,1-2,4,7,9-10,26-27H2,(H,29,33)/t11-/s2
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US Patent
0.0830n/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))
BDBM110684
PNG
(US8614206, 104)
Show SMILES N[C@@H]1CCCCN(C1)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1CC(F)F
Show InChI InChI=1/C21H23F4N7OS/c22-12-5-3-6-13(23)16(12)20-30-17(18(27)34-20)19(33)29-14-8-28-32(10-15(24)25)21(14)31-7-2-1-4-11(26)9-31/h3,5-6,8,11,15H,1-2,4,7,9-10,26-27H2,(H,29,33)/t11-/s2
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US Patent
0.0910n/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))
BDBM110937
PNG
(US8614206, 490)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](O)[C@H](O)CC1
Show InChI InChI=1/C20H22F2N6O3S/c1-27-20(28-7-5-13(29)14(30)6-8-28)12(9-24-27)25-18(31)16-17(23)32-19(26-16)15-10(21)3-2-4-11(15)22/h2-4,9,13-14,29-30H,5-8,23H2,1H3,(H,25,31)/t13-,14-/s2
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0.179n/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))
BDBM110934
PNG
(US8614206, 487)
Show SMILES CC(=O)O[C@H]1CCN(CC[C@H]1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/C22H25F2N7O3S/c1-11(32)34-16-7-9-31(8-6-14(16)25)22-15(10-27-30(22)2)28-20(33)18-19(26)35-21(29-18)17-12(23)4-3-5-13(17)24/h3-5,10,14,16H,6-9,25-26H2,1-2H3,(H,28,33)/t14-,16+/s2
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0.498n/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))
BDBM110954
PNG
(US8614206, 511 | US8614206, 512)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC(N)C(CC1)C(F)F
Show InChI InChI=1/C21H23F4N7OS/c1-31-21(32-7-5-10(17(24)25)13(26)6-8-32)14(9-28-31)29-19(33)16-18(27)34-20(30-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13,17H,5-8,26-27H2,1H3,(H,29,33)
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0.556n/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))
BDBM110936
PNG
(US8614206, 489)
Show SMILES CC(=O)O[C@@H]1CCN(CC[C@@H]1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C
Show InChI InChI=1/C22H25F2N7O3S/c1-11(32)34-16-7-9-31(8-6-14(16)25)22-15(10-27-30(22)2)28-20(33)18-19(26)35-21(29-18)17-12(23)4-3-5-13(17)24/h3-5,10,14,16H,6-9,25-26H2,1-2H3,(H,28,33)/t14-,16+/s2
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US Patent
0.846n/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))
BDBM110961
PNG
(US8614206, 518)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@](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)/t20-/s2
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5n/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
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Ligand-Target Pair