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Compile Data Set for Download or QSAR

Found 624 hits with Last Name = 'marmsater' and Initial = 'fp'   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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PubMed
>1.79E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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PubMed
>2.40E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1D receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>2.97E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1F receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>3.02E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1A receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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PubMed
>3.30E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5T2B receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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PubMed
>3.58E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1B receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>3.98E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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PubMed
>5.37E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT1E receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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PubMed
>6.31E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of human recombinant 5HT4E receptor expressed in CHO cells after 60 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>6.90E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of human 5HT5A receptor expressed in HEK293 cells after 120 mins by scintillation counting method


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>7.47E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5HT2A receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50207400
PNG
(CHEMBL3899832)
Show SMILES CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Show InChI InChI=1S/C22H19N5O4/c1-13-19(8-7-18(14(2)28)21(13)29)30-12-15-3-5-17(6-4-15)31-20-11-16(9-10-23-20)22-24-26-27-25-22/h3-11,29H,12H2,1-2H3,(H,24,25,26,27)
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>7.87E+6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Activity at human 5T2C receptor


Bioorg Med Chem Lett 27: 323-328 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.049
BindingDB Entry DOI: 10.7270/Q2DN471R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104202
PNG
(US8575145, 79)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccc(cn23)C2CC2)CCNCC1
Show InChI InChI=1S/C24H24FN5O/c25-24(10-12-26-13-11-24)15-31-20-3-1-2-17-6-8-19(27-22(17)20)23-29-28-21-9-7-18(14-30(21)23)16-4-5-16/h1-3,6-9,14,16,26H,4-5,10-13,15H2
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US Patent
n/an/a 0.200n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104213
PNG
(US8575145, 120 | US8575145, 121 | US8575145, 150 |...)
Show SMILES FC1CCNCCC1Oc1cc(F)cc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H19F2N5O/c22-14-11-13-4-5-16(21-27-26-19-3-1-2-10-28(19)21)25-20(13)18(12-14)29-17-7-9-24-8-6-15(17)23/h1-5,10-12,15,17,24H,6-9H2
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n/an/a 0.400n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104204
PNG
(US8575145, 81)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccc(cn23)-c2ccccc2)CCNCC1
Show InChI InChI=1S/C27H24FN5O/c28-27(13-15-29-16-14-27)18-34-23-8-4-7-20-9-11-22(30-25(20)23)26-32-31-24-12-10-21(17-33(24)26)19-5-2-1-3-6-19/h1-12,17,29H,13-16,18H2
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n/an/a 0.450n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM41535
PNG
(US8575145, 106 | US8575145, 66)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C21H26N6O5/c1-5-31-18-8-7-15(9-19(18)32-6-2)12-25-13-16(10-22-25)24-20(28)21(3,4)26-14-17(11-23-26)27(29)30/h7-11,13-14H,5-6,12H2,1-4H3,(H,24,28)
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n/an/a 0.5n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104229
PNG
(US8575145, 106)
Show SMILES Fc1cc(OCC2(F)CCNCC2)c2nc(ccc2c1)-c1nnc2ccccn12
Show InChI InChI=1S/C21H19F2N5O/c22-15-11-14-4-5-16(20-27-26-18-3-1-2-10-28(18)20)25-19(14)17(12-15)29-13-21(23)6-8-24-9-7-21/h1-5,10-12,24H,6-9,13H2
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n/an/a 0.5n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104162
PNG
(US8575145, 39)
Show SMILES CC(C)(CN)COc1cc(F)cc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C20H20FN5O/c1-20(2,11-22)12-27-16-10-14(21)9-13-6-7-15(23-18(13)16)19-25-24-17-5-3-4-8-26(17)19/h3-10H,11-12,22H2,1-2H3
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n/an/a 0.550n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104187
PNG
(US8575145, 64)
Show SMILES CC(C)(CN)COc1cccc2ccc(nc12)-c1nnc2ccc(cn12)C1CC1
Show InChI InChI=1S/C23H25N5O/c1-23(2,13-24)14-29-19-5-3-4-16-8-10-18(25-21(16)19)22-27-26-20-11-9-17(12-28(20)22)15-6-7-15/h3-5,8-12,15H,6-7,13-14,24H2,1-2H3
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n/an/a 0.640n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104140
PNG
(US8575145, 17)
Show SMILES NC1CCC(CC1)Oc1cccc2ccc(nc12)-c1nnc2ccccn12 |(7.59,3.85,;6.26,3.08,;6.26,1.54,;4.93,.77,;3.6,1.54,;3.6,3.08,;4.93,3.85,;2.27,.77,;2.27,-.77,;3.61,-1.54,;3.61,-3.08,;2.27,-3.85,;.94,-3.08,;-.4,-3.85,;-1.73,-3.08,;-1.73,-1.54,;-.4,-.77,;.94,-1.54,;-3.06,-.77,;-3.06,.77,;-4.53,1.25,;-5.43,0,;-6.96,-.16,;-7.59,-1.56,;-6.69,-2.81,;-5.15,-2.65,;-4.53,-1.24,)|
Show InChI InChI=1S/C21H21N5O/c22-15-8-10-16(11-9-15)27-18-5-3-4-14-7-12-17(23-20(14)18)21-25-24-19-6-1-2-13-26(19)21/h1-7,12-13,15-16H,8-11,22H2
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n/an/a 0.650n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104186
PNG
(US8575145, 63)
Show SMILES CC(C)(CN)COc1cccc2ccc(nc12)-c1nnc2ccc(Br)cn12
Show InChI InChI=1S/C20H20BrN5O/c1-20(2,11-22)12-27-16-5-3-4-13-6-8-15(23-18(13)16)19-25-24-17-9-7-14(21)10-26(17)19/h3-10H,11-12,22H2,1-2H3
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n/an/a 0.650n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104169
PNG
(US8575145, 46/47/48/49/50 | US8575145, 77 | US8575...)
Show SMILES FC1CCNCCC1Oc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2
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n/an/a 0.700n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104221
PNG
(US8575145, 98)
Show SMILES FC1CCNCCC1Oc1cccc2ccc(nc12)-c1nnc2ccc(cn12)C1CC1
Show InChI InChI=1S/C24H24FN5O/c25-18-10-12-26-13-11-20(18)31-21-3-1-2-16-6-8-19(27-23(16)21)24-29-28-22-9-7-17(14-30(22)24)15-4-5-15/h1-3,6-9,14-15,18,20,26H,4-5,10-13H2
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n/an/a 0.700n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104142
PNG
(US8575145, 19)
Show SMILES CC(C)(CO)COc1cccc2ccc(nc12)-c1nnc2cc(CN)ccn12
Show InChI InChI=1S/C21H23N5O2/c1-21(2,12-27)13-28-17-5-3-4-15-6-7-16(23-19(15)17)20-25-24-18-10-14(11-22)8-9-26(18)20/h3-10,27H,11-13,22H2,1-2H3
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n/an/a 0.700n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104237
PNG
(US8575145, 114)
Show SMILES COC1(COc2cc(F)cc3ccc(nc23)-c2nnc3ccccn23)CCCNCC1
Show InChI InChI=1S/C23H24FN5O2/c1-30-23(8-4-10-25-11-9-23)15-31-19-14-17(24)13-16-6-7-18(26-21(16)19)22-28-27-20-5-2-3-12-29(20)22/h2-3,5-7,12-14,25H,4,8-11,15H2,1H3
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n/an/a 0.700n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104165
PNG
(US8575145, 42)
Show SMILES N[C@H]1CCC(CC1)Oc1cccc2ccc(nc12)-c1nnc2ccccn12 |r,wU:1.0,(7.59,3.85,;6.26,3.08,;6.26,1.54,;4.93,.77,;3.6,1.54,;3.6,3.08,;4.93,3.85,;2.27,.77,;2.27,-.77,;3.61,-1.54,;3.61,-3.08,;2.27,-3.85,;.94,-3.08,;-.4,-3.85,;-1.73,-3.08,;-1.73,-1.54,;-.4,-.77,;.94,-1.54,;-3.06,-.77,;-3.06,.77,;-4.53,1.25,;-5.43,0,;-6.96,-.16,;-7.59,-1.56,;-6.69,-2.81,;-5.15,-2.65,;-4.53,-1.24,)|
Show InChI InChI=1S/C21H21N5O/c22-15-8-10-16(11-9-15)27-18-5-3-4-14-7-12-17(23-20(14)18)21-25-24-19-6-1-2-13-26(19)21/h1-7,12-13,15-16H,8-11,22H2/t15-,16?
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n/an/a 0.75n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104193
PNG
(US8575145, 70)
Show SMILES CC(C)C1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C24H27N5O/c1-17(2)24(11-13-25-14-12-24)16-30-20-7-5-6-18-9-10-19(26-22(18)20)23-28-27-21-8-3-4-15-29(21)23/h3-10,15,17,25H,11-14,16H2,1-2H3
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n/an/a 0.75n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104213
PNG
(US8575145, 120 | US8575145, 121 | US8575145, 150 |...)
Show SMILES FC1CCNCCC1Oc1cc(F)cc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H19F2N5O/c22-14-11-13-4-5-16(21-27-26-19-3-1-2-10-28(19)21)25-20(13)18(12-14)29-17-7-9-24-8-6-15(17)23/h1-5,10-12,15,17,24H,6-9H2
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n/an/a 0.800n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104188
PNG
(US8575145, 65)
Show SMILES CC(C)(CN)COc1cccc2ccc(nc12)-c1nnc2ccc(cn12)-c1ccccc1
Show InChI InChI=1S/C26H25N5O/c1-26(2,16-27)17-32-22-10-6-9-19-11-13-21(28-24(19)22)25-30-29-23-14-12-20(15-31(23)25)18-7-4-3-5-8-18/h3-15H,16-17,27H2,1-2H3
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n/an/a 0.800n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM41535
PNG
(US8575145, 106 | US8575145, 66)
Show SMILES FC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C21H26N6O5/c1-5-31-18-8-7-15(9-19(18)32-6-2)12-25-13-16(10-22-25)24-20(28)21(3,4)26-14-17(11-23-26)27(29)30/h7-11,13-14H,5-6,12H2,1-4H3,(H,24,28)
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n/an/a 0.800n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104147
PNG
(US8575145, 24)
Show SMILES CC(C)(CO)COc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C20H20N4O2/c1-20(2,12-25)13-26-16-7-5-6-14-9-10-15(21-18(14)16)19-23-22-17-8-3-4-11-24(17)19/h3-11,25H,12-13H2,1-2H3
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n/an/a 0.800n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Rattus norvegicus (Rat))
BDBM104213
PNG
(US8575145, 120 | US8575145, 121 | US8575145, 150 |...)
Show SMILES FC1CCNCCC1Oc1cc(F)cc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H19F2N5O/c22-14-11-13-4-5-16(21-27-26-19-3-1-2-10-28(19)21)25-20(13)18(12-14)29-17-7-9-24-8-6-15(17)23/h1-5,10-12,15,17,24H,6-9H2
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n/an/a 0.900n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104246
PNG
(US8575145, 123)
Show SMILES Cc1ccn2c(nnc2c1)-c1ccc2cccc(OCC(C)(C)CN)c2n1
Show InChI InChI=1S/C21H23N5O/c1-14-9-10-26-18(11-14)24-25-20(26)16-8-7-15-5-4-6-17(19(15)23-16)27-13-21(2,3)12-22/h4-11H,12-13,22H2,1-3H3
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n/an/a 0.900n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104169
PNG
(US8575145, 46/47/48/49/50 | US8575145, 77 | US8575...)
Show SMILES FC1CCNCCC1Oc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2
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n/an/a 0.920n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104190
PNG
(US8575145, 67)
Show SMILES CC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C22H23N5O/c1-22(10-12-23-13-11-22)15-28-18-6-4-5-16-8-9-17(24-20(16)18)21-26-25-19-7-2-3-14-27(19)21/h2-9,14,23H,10-13,15H2,1H3
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n/an/a 0.950n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104196
PNG
(US8575145, 73)
Show SMILES COC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C22H23N5O2/c1-28-22(10-12-23-13-11-22)15-29-18-6-4-5-16-8-9-17(24-20(16)18)21-26-25-19-7-2-3-14-27(19)21/h2-9,14,23H,10-13,15H2,1H3
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n/an/a 0.960n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50446319
PNG
(CHEMBL3109343)
Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OCC3(F)CCNCC3)c2n1
Show InChI InChI=1S/C25H27FN4O3/c1-31-13-14-32-19-7-12-30-21(16-28-23(30)15-19)20-6-5-18-3-2-4-22(24(18)29-20)33-17-25(26)8-10-27-11-9-25/h2-7,12,15-16,27H,8-11,13-14,17H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluor...


ACS Med Chem Lett 5: 78-83 (2014)


Article DOI: 10.1021/ml4003953
BindingDB Entry DOI: 10.7270/Q23N24VQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50446312
PNG
(CHEMBL3109350)
Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(OCC3CCNC3)c2n1
Show InChI InChI=1S/C24H26N4O3/c1-29-11-12-30-19-8-10-28-21(15-26-23(28)13-19)20-6-5-18-3-2-4-22(24(18)27-20)31-16-17-7-9-25-14-17/h2-6,8,10,13,15,17,25H,7,9,11-12,14,16H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluor...


ACS Med Chem Lett 5: 78-83 (2014)


Article DOI: 10.1021/ml4003953
BindingDB Entry DOI: 10.7270/Q23N24VQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104248
PNG
(US8575145, 125)
Show SMILES COC1(COc2cccc3ccc(nc23)-c2nnc3cc(C)ccn23)CCNCC1
Show InChI InChI=1S/C23H25N5O2/c1-16-8-13-28-20(14-16)26-27-22(28)18-7-6-17-4-3-5-19(21(17)25-18)30-15-23(29-2)9-11-24-12-10-23/h3-8,13-14,24H,9-12,15H2,1-2H3
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n/an/a 1n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104139
PNG
(US8575145, 16)
Show SMILES C(Oc1cccc2ccc(nc12)-c1nnc2ccccn12)C1CCCNC1
Show InChI InChI=1S/C21H21N5O/c1-2-12-26-19(8-1)24-25-21(26)17-10-9-16-6-3-7-18(20(16)23-17)27-14-15-5-4-11-22-13-15/h1-3,6-10,12,15,22H,4-5,11,13-14H2
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n/an/a 1n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104255
PNG
(US8575145, 132)
Show SMILES CC(C)(CCN)COc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H23N5O/c1-21(2,11-12-22)14-27-17-7-5-6-15-9-10-16(23-19(15)17)20-25-24-18-8-3-4-13-26(18)20/h3-10,13H,11-12,14,22H2,1-2H3
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n/an/a 1n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104215
PNG
(US8575145, 152 | US8575145, 92 | US8575145, 92/122)
Show SMILES Cc1ccn2c(nnc2c1)-c1ccc2cccc(OC3CCNCCC3F)c2n1
Show InChI InChI=1S/C22H22FN5O/c1-14-9-12-28-20(13-14)26-27-22(28)17-6-5-15-3-2-4-19(21(15)25-17)29-18-8-11-24-10-7-16(18)23/h2-6,9,12-13,16,18,24H,7-8,10-11H2,1H3
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n/an/a 1n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104169
PNG
(US8575145, 46/47/48/49/50 | US8575145, 77 | US8575...)
Show SMILES FC1CCNCCC1Oc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C21H20FN5O/c22-15-9-11-23-12-10-17(15)28-18-5-3-4-14-7-8-16(24-20(14)18)21-26-25-19-6-1-2-13-27(19)21/h1-8,13,15,17,23H,9-12H2
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n/an/a 1n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104240
PNG
(US8575145, 117)
Show SMILES COC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCCNCC1
Show InChI InChI=1S/C23H25N5O2/c1-29-23(11-5-13-24-14-12-23)16-30-19-7-4-6-17-9-10-18(25-21(17)19)22-27-26-20-8-2-3-15-28(20)22/h2-4,6-10,15,24H,5,11-14,16H2,1H3
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n/an/a 1n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104241
PNG
(US8575145, 118/119 | US8575145, 149)
Show SMILES CN1CCC(F)C(CC1)Oc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C22H22FN5O/c1-27-13-10-16(23)18(11-14-27)29-19-6-4-5-15-8-9-17(24-21(15)19)22-26-25-20-7-2-3-12-28(20)22/h2-9,12,16,18H,10-11,13-14H2,1H3
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n/an/a 1.30n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104191
PNG
(US8575145, 68)
Show SMILES CCC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
Show InChI InChI=1S/C23H25N5O/c1-2-23(11-13-24-14-12-23)16-29-19-7-5-6-17-9-10-18(25-21(17)19)22-27-26-20-8-3-4-15-28(20)22/h3-10,15,24H,2,11-14,16H2,1H3
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n/an/a 1.30n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104226
PNG
(US8575145, 103)
Show SMILES Fc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1
Show InChI InChI=1S/C21H19F2N5O/c22-15-5-7-18-26-27-20(28(18)12-15)16-6-4-14-2-1-3-17(19(14)25-16)29-13-21(23)8-10-24-11-9-21/h1-7,12,24H,8-11,13H2
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n/an/a 1.40n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104238
PNG
(US8575145, 115)
Show SMILES COC1(COc2cc(F)cc3ccc(nc23)-c2nnc3ccccn23)CCCN(CCO)CC1
Show InChI InChI=1S/C25H28FN5O3/c1-33-25(8-4-10-30(12-9-25)13-14-32)17-34-21-16-19(26)15-18-6-7-20(27-23(18)21)24-29-28-22-5-2-3-11-31(22)24/h2-3,5-7,11,15-16,32H,4,8-10,12-14,17H2,1H3
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n/an/a 1.40n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104141
PNG
(US8575145, 18)
Show SMILES CC(C)(CN)COc1cccc2ccc(nc12)-c1nnc2ccccn12
Show InChI InChI=1S/C20H21N5O/c1-20(2,12-21)13-26-16-7-5-6-14-9-10-15(22-18(14)16)19-24-23-17-8-3-4-11-25(17)19/h3-11H,12-13,21H2,1-2H3
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n/an/a 1.5n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM104222
PNG
(US8575145, 130 | US8575145, 99/100)
Show SMILES Cc1ccc2nnc(-c3ccc4cccc(OC5CCNCCC5F)c4n3)n2c1
Show InChI InChI=1S/C22H22FN5O/c1-14-5-8-20-26-27-22(28(20)13-14)17-7-6-15-3-2-4-19(21(15)25-17)29-18-10-12-24-11-9-16(18)23/h2-8,13,16,18,24H,9-12H2,1H3
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n/an/a 1.5n/an/an/an/a7.422



Array BioPharma Inc.

US Patent


Assay Description
The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled pe...


US Patent US8575145 (2013)


BindingDB Entry DOI: 10.7270/Q2M90797
More data for this
Ligand-Target Pair
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