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Compile Data Set for Download or QSAR

Found 1410 hits with Last Name = 'burch' and Initial = 'j'   
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=1S/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+/m1/s1
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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=1S/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+/m1/s1
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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=1S/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+/m1/s1
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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))		BDBM393298
PNG
(N-(5-((2S,5R,6S)-5-amino-6- fluorooxepan-2-yl)-1-m...)
Show SMILES C[C@H](F)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=1S/C22H23F4N5O2S/c1-10(23)11-5-12(24)19(13(25)6-11)22-30-17(9-34-22)21(32)29-16-7-28-31(2)20(16)18-4-3-15(27)14(26)8-33-18/h5-7,9-10,14-15,18H,3-4,8,27H2,1-2H3,(H,29,32)/t10-,14+,15+,18-/m0/s1
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 0.00200n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Determination of the Pim kinase activity of a Formula I compound is possible by a number of direct and indirect detection methods. Certain exemplary ...

Chem Biol Drug Des 71: 131-9 (2008)


BindingDB Entry DOI: 10.7270/Q22B91B0
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=1S/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+/m0/s1
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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))		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=1S/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+/m1/s1
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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=1S/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+/m1/s1
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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=1S/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-/m0/s1
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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=1S/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+/m1/s1
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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=1S/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-/m1/s1
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US Patent
 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))		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=1S/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+/m1/s1
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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=1S/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+/m1/s1
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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=1S/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+/m1/s1
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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=1S/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-/m1/s1
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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))		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=1S/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+/m1/s1
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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))		BDBM393426
PNG
(N-(5-((2S,5R,6S)-5-amino-6- fluorooxepan-2-yl)-1-m...)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc3[C@H](O)CCOc3c2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1S/C23H24F3N5O4S/c1-31-20(17-3-2-13(27)12(25)8-35-17)14(7-28-31)29-22(33)15-9-36-23(30-15)18-11(24)6-10-16(32)4-5-34-21(10)19(18)26/h6-7,9,12-13,16-17,32H,2-5,8,27H2,1H3,(H,29,33)/t12-,13-,16-,17+/m1/s1
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 0.00400n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Determination of the Pim kinase activity of a Formula I compound is possible by a number of direct and indirect detection methods. Certain exemplary ...

Chem Biol Drug Des 71: 131-9 (2008)


BindingDB Entry DOI: 10.7270/Q22B91B0
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=1S/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+/m1/s1
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US Patent
 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=1S/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-/m0/s1
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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))		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=1S/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-/m0/s1
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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))		BDBM393434
PNG
(N-(5-((2S,5R,6R,7S)-5-amino-6- fluoro-7-methyloxep...)
Show SMILES C[C@@H]1O[C@@H](CC[C@@H](N)[C@H]1F)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnn1C |r|
Show InChI InChI=1S/C21H22F3N5O2S/c1-10-18(24)13(25)6-7-16(31-10)19-14(8-26-29(19)2)27-20(30)15-9-32-21(28-15)17-11(22)4-3-5-12(17)23/h3-5,8-10,13,16,18H,6-7,25H2,1-2H3,(H,27,30)/t10-,13+,16-,18-/m0/s1
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 0.00500n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Determination of the Pim kinase activity of a Formula I compound is possible by a number of direct and indirect detection methods. Certain exemplary ...

Chem Biol Drug Des 71: 131-9 (2008)


BindingDB Entry DOI: 10.7270/Q22B91B0
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=1S/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+/m1/s1
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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))		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=1S/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+/m1/s1
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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))		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=1S/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?/m0/s1
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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=1S/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-/m0/s1
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US Patent
 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))		BDBM393431
PNG
(N-(5-((2S,5R,6S,7R)-5-amino-6- methoxy-7-methyloxe...)
Show SMILES CO[C@H]1[C@H](N)CC[C@H](O[C@@H]1C)c1c(NC(=O)c2csc(n2)-c2c(F)cccc2F)cnn1C |r|
Show InChI InChI=1S/C22H25F2N5O3S/c1-11-20(31-3)14(25)7-8-17(32-11)19-15(9-26-29(19)2)27-21(30)16-10-33-22(28-16)18-12(23)5-4-6-13(18)24/h4-6,9-11,14,17,20H,7-8,25H2,1-3H3,(H,27,30)/t11-,14-,17+,20-/m1/s1
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 0.00600n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Determination of the Pim kinase activity of a Formula I compound is possible by a number of direct and indirect detection methods. Certain exemplary ...

Chem Biol Drug Des 71: 131-9 (2008)


BindingDB Entry DOI: 10.7270/Q22B91B0
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=1S/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-/m0/s1
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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))		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=1S/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+/m1/s1
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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))		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=1S/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-/m0/s1
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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=1S/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+/m1/s1
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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=1S/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+/m1/s1
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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))		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=1S/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-/m0/s1
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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=1S/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?/m1/s1
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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=1S/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+/m1/s1
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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))		BDBM227160
PNG
(US9328106, 107)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1C12CCC(O1)C(N)CC2
Show InChI InChI=1S/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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US Patent
 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=1S/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-/m0/s1
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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))		BDBM227421
PNG
(US9328106, 373)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2n[nH]c3CC(C)(C)CCc23)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
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 0.00900 -63.0n/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))		BDBM227170
PNG
(US9328106, 118)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@@]12CC[C@@H](O1)[C@H](N)CC2 |r|
Show InChI InChI=1S/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-/m1/s1
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 0.00900 -63.0n/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))		BDBM227406
PNG
(US9328106, 358)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(cc2F)C2CC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1S/C23H24F3N5O2S/c1-31-21(19-5-4-16(27)15(26)9-33-19)17(8-28-31)29-22(32)18-10-34-23(30-18)20-13(24)6-12(7-14(20)25)11-2-3-11/h6-8,10-11,15-16,19H,2-5,9,27H2,1H3,(H,29,32)/t15-,16-,19+/m1/s1
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 0.00900 -63.0n/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))		BDBM50053683
PNG
(CHEMBL3318854 | US9328106, 135)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@@H]1C[C@@H](F)[C@H](N)CCO1 |r|
Show InChI InChI=1S/C20H21F3N6O2S/c1-29-17(14-7-11(23)12(24)5-6-31-14)13(8-26-29)27-19(30)16-18(25)32-20(28-16)15-9(21)3-2-4-10(15)22/h2-4,8,11-12,14H,5-7,24-25H2,1H3,(H,27,30)/t11-,12-,14+/m1/s1
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US Patent
 0.0100 -62.8n/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))		BDBM227311
PNG
(US9328106, 262)
Show SMILES CO[C@H]1CO[C@@H](CC[C@H]1N)c1c(NC(=O)c2nc(sc2N)-c2c(F)ccc(F)c2F)cnn1C |r|
Show InChI InChI=1S/C21H23F3N6O3S/c1-30-18(13-6-5-11(25)14(32-2)8-33-13)12(7-27-30)28-20(31)17-19(26)34-21(29-17)15-9(22)3-4-10(23)16(15)24/h3-4,7,11,13-14H,5-6,8,25-26H2,1-2H3,(H,28,31)/t11-,13+,14+/m1/s1
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 0.0100 -62.8n/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))		BDBM227308
PNG
(US9328106, 259)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccc(cc2F)C(F)(F)F)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 |r|
Show InChI InChI=1S/C21H21F5N6O2S/c1-32-17(15-5-4-13(27)12(23)8-34-15)14(7-29-32)30-19(33)16-18(28)35-20(31-16)10-3-2-9(6-11(10)22)21(24,25)26/h2-3,6-7,12-13,15H,4-5,8,27-28H2,1H3,(H,30,33)/t12-,13+,15-/m0/s1
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 0.0100 -62.8n/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))		BDBM227389
PNG
(US9328106, 340)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(cc2F)C2(F)COC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1S/C23H23F4N5O3S/c1-32-20(18-3-2-15(28)14(26)7-35-18)16(6-29-32)30-21(33)17-8-36-22(31-17)19-12(24)4-11(5-13(19)25)23(27)9-34-10-23/h4-6,8,14-15,18H,2-3,7,9-10,28H2,1H3,(H,30,33)/t14-,15-,18+/m1/s1
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 0.0100 -62.8n/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))		BDBM227265
PNG
(US9328106, 216)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)cc(cc2F)C2CCOC2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
Show InChI InChI=1S/C24H26F3N5O3S/c1-32-22(20-3-2-17(28)16(27)10-35-20)18(8-29-32)30-23(33)19-11-36-24(31-19)21-14(25)6-13(7-15(21)26)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+/m1/s1
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 0.0110 -62.5n/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))		BDBM227249
PNG
(US9328106, 200)
Show SMILES Cn1ncc(NC(=O)c2ccc(F)c(n2)-c2c(F)cc(cc2F)C(C)(C)O)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r,wU:31.34,wD:28.30,33.36,(-5.48,4.02,;-5.48,2.48,;-6.73,1.58,;-6.25,.11,;-4.71,.11,;-3.94,-1.22,;-3.94,-2.76,;-5.28,-3.53,;-2.61,-3.53,;-2.61,-5.07,;-1.27,-5.84,;.06,-5.07,;1.39,-5.84,;.06,-3.53,;-1.27,-2.76,;1.39,-2.76,;1.39,-1.22,;.06,-.45,;2.73,-.45,;4.06,-1.22,;4.06,-2.76,;2.73,-3.53,;2.73,-5.07,;5.39,-.45,;5.39,1.09,;6.73,-1.22,;6.73,.32,;-4.24,1.58,;-2.9,2.35,;-2.9,3.89,;-1.7,4.85,;-.2,4.51,;.57,5.84,;.47,3.12,;1.96,2.72,;-.2,1.73,;-1.7,1.39,)|
Show InChI InChI=1S/C25H27F4N5O3/c1-25(2,36)12-8-14(27)21(15(28)9-12)22-13(26)4-6-18(32-22)24(35)33-19-10-31-34(3)23(19)20-7-5-17(30)16(29)11-37-20/h4,6,8-10,16-17,20,36H,5,7,11,30H2,1-3H3,(H,33,35)/t16-,17-,20+/m1/s1
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 0.0110 -62.5n/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))		BDBM227447
PNG
(US9328106, 400)
Show SMILES Cn1ncc(NC(=O)c2csc(n2)-c2c(F)ccc3[nH]ccc23)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r|
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 0.0110 -62.5n/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))		BDBM227257
PNG
(US9328106, 208)
Show SMILES Cn1ncc(NC(=O)c2ccc(F)c(n2)-c2c(F)cc(O)cc2F)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 |r,wU:28.31,wD:25.27,30.33,(-4.81,4.02,;-4.81,2.48,;-6.06,1.58,;-5.58,.11,;-4.04,.11,;-3.27,-1.22,;-3.27,-2.76,;-4.61,-3.53,;-1.94,-3.53,;-1.94,-5.07,;-.61,-5.84,;.73,-5.07,;2.06,-5.84,;.73,-3.53,;-.61,-2.76,;2.06,-2.76,;2.06,-1.22,;.73,-.45,;3.39,-.45,;4.73,-1.22,;6.06,-.45,;4.73,-2.76,;3.39,-3.53,;3.39,-5.07,;-3.57,1.58,;-2.24,2.35,;-2.24,3.89,;-1.03,4.85,;.47,4.51,;1.24,5.84,;1.14,3.12,;2.63,2.72,;.47,1.73,;-1.03,1.39,)|
Show InChI InChI=1S/C22H21F4N5O3/c1-31-21(18-5-3-15(27)14(26)9-34-18)17(8-28-31)30-22(33)16-4-2-11(23)20(29-16)19-12(24)6-10(32)7-13(19)25/h2,4,6-8,14-15,18,32H,3,5,9,27H2,1H3,(H,30,33)/t14-,15-,18+/m1/s1
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 0.0120 -62.3n/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))		BDBM227352
PNG
(US9328106, 303)
Show SMILES Cc1ccc(F)c(-c2nc(cs2)C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)c1F |r|
Show InChI InChI=1S/C21H22F3N5O2S/c1-10-3-4-11(22)17(18(10)24)21-28-15(9-32-21)20(30)27-14-7-26-29(2)19(14)16-6-5-13(25)12(23)8-31-16/h3-4,7,9,12-13,16H,5-6,8,25H2,1-2H3,(H,27,30)/t12-,13-,16+/m1/s1
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 0.0130 -62.1n/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))		BDBM227212
PNG
(US9328106, 161)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2ccncc2F)c1[C@@]12CC[C@@H](O1)[C@H](N)CC2 |r|
Show InChI InChI=1S/C20H22FN7O2S/c1-28-16(20-5-2-12(22)14(30-20)3-6-20)13(9-25-28)26-18(29)15-17(23)31-19(27-15)10-4-7-24-8-11(10)21/h4,7-9,12,14H,2-3,5-6,22-23H2,1H3,(H,26,29)/t12-,14-,20-/m1/s1
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 0.0130 -62.1n/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))		BDBM227219
PNG
(US9328106, 168)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1[C@@H]1CC[C@@H](N)C(F)(F)CO1 |r|
Show InChI InChI=1S/C20H20F4N6O2S/c1-30-16(12-5-6-13(25)20(23,24)8-32-12)11(7-27-30)28-18(31)15-17(26)33-19(29-15)14-9(21)3-2-4-10(14)22/h2-4,7,12-13H,5-6,8,25-26H2,1H3,(H,28,31)/t12-,13+/m0/s1
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 0.0130 -62.1n/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))		BDBM227339
PNG
(US9328106, 290)
Show SMILES Cn1ncc(NC(=O)c2ccc(F)c(n2)-c2c(F)cc(cc2F)C2(O)CCC2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 |r,wU:32.36,34.38,wD:29.32,(-5.76,4.02,;-5.76,2.48,;-7,1.58,;-6.53,.11,;-4.99,.11,;-4.22,-1.22,;-4.22,-2.76,;-5.55,-3.53,;-2.88,-3.53,;-2.88,-5.07,;-1.55,-5.84,;-.22,-5.07,;1.12,-5.84,;-.22,-3.53,;-1.55,-2.76,;1.12,-2.76,;1.12,-1.22,;-.22,-.45,;2.45,-.45,;3.78,-1.22,;3.78,-2.76,;2.45,-3.53,;2.45,-5.07,;5.12,-.45,;5.12,1.09,;5.52,-1.94,;7,-1.54,;6.61,-.05,;-4.51,1.58,;-3.18,2.35,;-3.18,3.89,;-1.97,4.85,;-.47,4.51,;.3,5.84,;.2,3.12,;1.68,2.72,;-.47,1.73,;-1.97,1.39,)|
Show InChI InChI=1S/C26H27F4N5O3/c1-35-24(21-6-4-18(31)17(30)12-38-21)20(11-32-35)34-25(36)19-5-3-14(27)23(33-19)22-15(28)9-13(10-16(22)29)26(37)7-2-8-26/h3,5,9-11,17-18,21,37H,2,4,6-8,12,31H2,1H3,(H,34,36)/t17-,18+,21-/m0/s1
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US Patent
 0.0131 -62.1n/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
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