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Compile Data Set for Download or QSAR

Found 1751 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PIM-3'   
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-3


(Homo sapiens (Human))
BDBM106896
PNG
(US8592455, 96)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
Show InChI InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
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0.00100n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM106803
PNG
(US8592455, 3)
Show SMILES C[C@H]1CN(C[C@@H](N)[C@@H]1O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:7.8,wD:1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;4.67,-1.93,;3.33,-2.69,;3.33,-4.23,;3.33,1.93,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)|
Show InChI InChI=1S/C23H23F3N6O2/c1-11-9-32(10-16(28)22(11)33)18-5-6-29-8-17(18)30-23(34)21-15(27)7-14(26)20(31-21)19-12(24)3-2-4-13(19)25/h2-8,11,16,22,33H,9-10,27-28H2,1H3,(H,30,34)/t11-,16+,22+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
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0.00600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445124
PNG
(CHEMBL3103868)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O/c23-14-4-1-5-15(24)20(14)17-7-6-16(26)21(28-17)22(31)29-18-11-27-9-8-19(18)30-10-2-3-13(25)12-30/h1,4-9,11,13H,2-3,10,12,25-26H2,(H,29,31)/t13-/m0/s1
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0.00600n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50445133
PNG
(CHEMBL3103869)
Show SMILES N[C@@H]1CN(CC[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1c(F)cccc1F |r|
Show InChI InChI=1S/C22H22F2N6O2/c23-12-2-1-3-13(24)20(12)16-5-4-14(25)21(28-16)22(32)29-17-10-27-8-6-18(17)30-9-7-19(31)15(26)11-30/h1-6,8,10,15,19,31H,7,9,11,25-26H2,(H,29,32)/t15-,19-/m1/s1
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0.00700n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin)


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434655
PNG
(CHEMBL2387464)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r|
Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1
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0.00900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248989
PNG
(US9434725, 220)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(c(n1)N1CCC[C@H](N)C1)C(F)(F)F |r|
Show InChI InChI=1/C22H21F3N8/c1-13-8-27-11-18(30-13)17-7-19-14(9-28-17)10-29-33(19)20-5-4-16(22(23,24)25)21(31-20)32-6-2-3-15(26)12-32/h4-5,7-11,15H,2-3,6,12,26H2,1H3/t15-/s2
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0.00900 -63.0n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM119398
PNG
(US8669361, 140 | US9573943, Example 140)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC[C@@H](N)CC1 |r|
Show InChI InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m1/s1
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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 US8669361 (2014)


BindingDB Entry DOI: 10.7270/Q2P26WSV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131224
PNG
(CHEMBL3634783 | US9260425, 505)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H20N8/c1-13-10-22-11-18(24-13)16-9-14-17(12-23-16)26-27-20(14)15-3-2-4-19(25-15)28-7-5-21-6-8-28/h2-4,9-12,21H,5-8H2,1H3,(H,26,27)
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0.0100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131377
PNG
(CHEMBL3634781 | US9260425, 162)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1cccnc1
Show InChI InChI=1S/C20H19N7/c1-4-16(24-19(5-1)27-9-7-21-8-10-27)20-15-11-17(14-3-2-6-22-12-14)23-13-18(15)25-26-20/h1-6,11-13,21H,7-10H2,(H,25,26)
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0.0100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM119398
PNG
(US8669361, 140 | US9573943, Example 140)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCC[C@@H](N)CC1 |r|
Show InChI InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m1/s1
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0.0100 -62.8n/an/an/an/an/a7.225



Genentech, Inc.

US Patent




US Patent US9573943 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S5P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248984
PNG
(US9434725, 215)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(F)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C21H21FN8/c1-13-8-24-11-18(27-13)17-7-19-14(9-25-17)10-26-30(19)20-5-4-16(22)21(28-20)29-6-2-3-15(23)12-29/h4-5,7-11,15H,2-3,6,12,23H2,1H3/t15-/s2
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0.0110 -62.5n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248978
PNG
(US9434725, 209)
Show SMILES Cc1nc(cnc1N)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C21H23N9/c1-13-21(23)25-11-17(27-13)16-8-18-14(9-24-16)10-26-30(18)20-6-2-5-19(28-20)29-7-3-4-15(22)12-29/h2,5-6,8-11,15H,3-4,7,12,22H2,1H3,(H2,23,25)/t15-/s2
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0.0110 -62.5n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131227
PNG
(CHEMBL3634771 | US9260425, 473)
Show SMILES N#CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H19N9/c21-4-7-29-13-14(11-24-29)17-10-15-18(12-23-17)26-27-20(15)16-2-1-3-19(25-16)28-8-5-22-6-9-28/h1-3,10-13,22H,5-9H2,(H,26,27)
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0.0130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248955
PNG
(US9434725, 186)
Show SMILES COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1 |r|
Show InChI InChI=1/C22H24N8O/c1-14-9-24-12-18(27-14)17-8-19-15(10-25-17)11-26-30(19)21-6-5-20(31-2)22(28-21)29-7-3-4-16(23)13-29/h5-6,8-12,16H,3-4,7,13,23H2,1-2H3/t16-/s2
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0.0130 -62.1n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131261
PNG
(CHEMBL3634767)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H22N8/c1-27-13-14(11-23-27)17-10-15-18(12-22-17)25-26-20(15)16-4-2-5-19(24-16)28-8-3-6-21-7-9-28/h2,4-5,10-13,21H,3,6-9H2,1H3,(H,25,26)
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0.0130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248974
PNG
(US9434725, 205)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C22H24N8/c1-14-5-6-21(28-22(14)29-7-3-4-17(23)13-29)30-20-8-18(25-10-16(20)11-26-30)19-12-24-9-15(2)27-19/h5-6,8-12,17H,3-4,7,13,23H2,1-2H3/t17-/s2
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0.0140 -62.0n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248977
PNG
(US9434725, 208)
Show SMILES Cc1nc(cnc1N)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H23N9/c1-14-21(22)25-13-17(27-14)16-10-18-15(11-24-16)12-26-30(18)20-5-2-4-19(28-20)29-8-3-6-23-7-9-29/h2,4-5,10-13,23H,3,6-9H2,1H3,(H2,22,25)
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0.0140 -62.0n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248925
PNG
(US9434725, 156)
Show SMILES CCc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C22H24N8/c1-2-17-12-24-13-19(27-17)18-9-20-15(10-25-18)11-26-30(20)22-7-3-6-21(28-22)29-8-4-5-16(23)14-29/h3,6-7,9-13,16H,2,4-5,8,14,23H2,1H3/t16-/s2
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0.0140 -62.0n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131265
PNG
(CHEMBL3634757 | US9260425, 189)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1/C19H20N8/c1-26-10-12(8-22-26)16-7-14-17(9-21-16)24-25-19(14)15-3-2-4-18(23-15)27-6-5-13(20)11-27/h2-4,7-10,13H,5-6,11,20H2,1H3,(H,24,25)/t13-/s2
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0.0150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131228
PNG
(CHEMBL3634772 | US9260425, 497)
Show SMILES C(C1CC1)n1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H24N8/c1-2-18(26-21(3-1)29-8-6-23-7-9-29)22-17-10-19(24-12-20(17)27-28-22)16-11-25-30(14-16)13-15-4-5-15/h1-3,10-12,14-15,23H,4-9,13H2,(H,27,28)
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0.0160n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248940
PNG
(US9434725, 171 | US9434725, 182 | US9434725, 183)
Show SMILES CC1CCC(N)CN1c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
Show InChI InChI=1/C22H24N8/c1-14-9-24-12-19(27-14)18-8-20-16(10-25-18)11-26-30(20)22-5-3-4-21(28-22)29-13-17(23)7-6-15(29)2/h3-5,8-12,15,17H,6-7,13,23H2,1-2H3
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0.0160 -61.6n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131226
PNG
(CHEMBL3634770 | US9260425, 234)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C19H20N8/c1-26-12-13(10-22-26)16-9-14-17(11-21-16)24-25-19(14)15-3-2-4-18(23-15)27-7-5-20-6-8-27/h2-4,9-12,20H,5-8H2,1H3,(H,24,25)
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0.0170n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249070
PNG
(US9434725, 301)
Show SMILES OCCCc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H24N8O/c31-10-2-3-17-14-24-15-19(27-17)18-11-20-16(12-25-18)13-26-30(20)22-5-1-4-21(28-22)29-8-6-23-7-9-29/h1,4-5,11-15,23,31H,2-3,6-10H2
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0.0180 -61.3n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248919
PNG
(US9434725, 150)
Show SMILES CCc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H24N8/c1-2-17-14-24-15-19(27-17)18-11-20-16(12-25-18)13-26-30(20)22-6-3-5-21(28-22)29-9-4-7-23-8-10-29/h3,5-6,11-15,23H,2,4,7-10H2,1H3
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0.0190 -61.2n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434654
PNG
(CHEMBL2387465)
Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r|
Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1
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0.0190n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248996
PNG
(US9434725, 227)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C(F)F)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C22H22F2N8/c1-13-8-26-11-18(29-13)17-7-19-14(9-27-17)10-28-32(19)20-5-4-16(21(23)24)22(30-20)31-6-2-3-15(25)12-31/h4-5,7-11,15,21H,2-3,6,12,25H2,1H3/t15-/s2
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0.0190 -61.2n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248950
PNG
(US9434725, 181)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C24H26N8/c1-15-10-26-13-21(29-15)20-9-22-17(11-27-20)12-28-32(22)23-7-6-19(16-4-5-16)24(30-23)31-8-2-3-18(25)14-31/h6-7,9-13,16,18H,2-5,8,14,25H2,1H3/t18-/s2
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0.0190 -61.2n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248907
PNG
(US9434725, 138)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-15-11-23-14-18(26-15)17-10-19-16(12-24-17)13-25-29(19)21-5-2-4-20(27-21)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
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0.0199 -61.1n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248970
PNG
(US9434725, 201)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccc(C#N)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/s2
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0.0200 -61.1n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131264
PNG
(CHEMBL3634756 | US9260425, 177)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0210n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249051
PNG
(US9434725, 282)
Show SMILES OCCNc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
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0.0210 -60.9n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM119386
PNG
(US8669361, 113 | US9573943, Example 113)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCCC(N)CC1
Show InChI InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)
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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 US8669361 (2014)


BindingDB Entry DOI: 10.7270/Q2P26WSV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248938
PNG
(US9434725, 169 | US9434725, 185 | US9434725, 193)
Show SMILES CC1CN(CCN1)c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
Show InChI InChI=1/C21H22N8/c1-14-9-22-12-18(26-14)17-8-19-16(10-24-17)11-25-29(19)21-5-3-4-20(27-21)28-7-6-23-15(2)13-28/h3-5,8-12,15,23H,6-7,13H2,1-2H3
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0.0220 -60.8n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434656
PNG
(CHEMBL2387463)
Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM119386
PNG
(US8669361, 113 | US9573943, Example 113)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CCCC(N)CC1
Show InChI InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)
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0.0220 -60.8n/an/an/an/an/a7.225



Genentech, Inc.

US Patent




US Patent US9573943 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S5P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434666
PNG
(CHEMBL2387471)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434658
PNG
(CHEMBL2387479)
Show SMILES F[C@@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r|
Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m0/s1
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248959
PNG
(US9434725, 190)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(NC2CCNCC2)n1
Show InChI InChI=1S/C21H22N8/c1-14-10-23-13-18(26-14)17-9-19-15(11-24-17)12-25-29(19)21-4-2-3-20(28-21)27-16-5-7-22-8-6-16/h2-4,9-13,16,22H,5-8H2,1H3,(H,27,28)
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0.0230 -60.7n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249028
PNG
(US9434725, 259 | US9434725, 271 | US9434725, 272)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1(F)F
Show InChI InChI=1/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
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0.0235 -60.7n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50434663
PNG
(CHEMBL2387474)
Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1
Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)
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0.0250n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP


Bioorg Med Chem Lett 23: 3149-53 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.020
BindingDB Entry DOI: 10.7270/Q2PC33S9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249053
PNG
(US9434725, 284)
Show SMILES C1CN(C1)c1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H23N9/c1-3-20(30-9-5-23-6-10-30)28-21(4-1)31-19-11-17(25-12-16(19)13-26-31)18-14-24-15-22(27-18)29-7-2-8-29/h1,3-4,11-15,23H,2,5-10H2
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0.0250 -60.5n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249028
PNG
(US9434725, 259 | US9434725, 271 | US9434725, 272)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)C1CNCCC1(F)F
Show InChI InChI=1/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
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0.0250 -60.5n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248964
PNG
(US9434725, 195 | US9434725, 203 | US9434725, 204)
Show SMILES CC1C(N)CCCN1c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
Show InChI InChI=1/C22H24N8/c1-14-10-24-13-19(27-14)18-9-20-16(11-25-18)12-26-30(20)22-7-3-6-21(28-22)29-8-4-5-17(23)15(29)2/h3,6-7,9-13,15,17H,4-5,8,23H2,1-2H3
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0.0250 -60.5n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249086
PNG
(US9434725, 317)
Show SMILES CC#Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H20N8/c1-2-4-17-14-24-15-19(27-17)18-11-20-16(12-25-18)13-26-30(20)22-6-3-5-21(28-22)29-9-7-23-8-10-29/h3,5-6,11-15,23H,7-10H2,1H3
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0.0260 -60.4n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249016
PNG
(US9434725, 247)
Show SMILES Nc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H21N9/c21-18-13-23-12-16(26-18)15-9-17-14(10-24-15)11-25-29(17)20-4-1-3-19(27-20)28-7-2-5-22-6-8-28/h1,3-4,9-13,22H,2,5-8H2,(H2,21,26)
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0.0260 -60.4n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248940
PNG
(US9434725, 171 | US9434725, 182 | US9434725, 183)
Show SMILES CC1CCC(N)CN1c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
Show InChI InChI=1/C22H24N8/c1-14-9-24-12-19(27-14)18-8-20-16(10-25-18)11-26-30(20)22-5-3-4-21(28-22)29-13-17(23)7-6-15(29)2/h3-5,8-12,15,17H,6-7,13,23H2,1-2H3
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0.0300 -60.1n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249069
PNG
(US9434725, 300)
Show SMILES OCC#Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H20N8O/c31-10-2-3-17-14-24-15-19(27-17)18-11-20-16(12-25-18)13-26-30(20)22-5-1-4-21(28-22)29-8-6-23-7-9-29/h1,4-5,11-15,23,31H,6-10H2
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0.0320 -59.9n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM249007
PNG
(US9434725, 238)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cnc(C2CC2)c(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C23H25N9/c1-14-8-25-11-19(29-14)18-7-20-16(9-26-18)10-28-32(20)21-12-27-22(15-4-5-15)23(30-21)31-6-2-3-17(24)13-31/h7-12,15,17H,2-6,13,24H2,1H3/t17-/s2
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0.0320 -59.9n/an/an/an/an/a7.225



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 US9434725 (2016)


BindingDB Entry DOI: 10.7270/Q2CF9P1N
More data for this
Ligand-Target Pair
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