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Compile Data Set for Download or QSAR

Found 1220 hits with Last Name = 'nixey' and Initial = 't'   
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
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum


J Med Chem 55: 4776-87 (2012)


Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50365964
PNG
(CHEMBL1956235 | CHEMBL2070530)
Show SMILES COc1cc2nncc(-c3cnc(NC(C)C)c(C)c3)c2cc1OC
Show InChI InChI=1S/C19H22N4O2/c1-11(2)22-19-12(3)6-13(9-20-19)15-10-21-23-16-8-18(25-5)17(24-4)7-14(15)16/h6-11H,1-5H3,(H,20,22)
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1.18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum


J Med Chem 55: 4776-87 (2012)


Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM35317
PNG
(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 0.270n/an/an/an/an/an/a



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20531
PNG
(N-{6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}qui...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3497-514 (2007)


Article DOI: 10.1021/jm070189q
BindingDB Entry DOI: 10.7270/Q2W957GV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224899
PNG
(US9321756, 152)
Show SMILES N[C@H]1CCCCN1c1cccc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1 |r|
Show InChI InChI=1/C20H21N7S/c21-17-5-1-2-9-27(17)18-6-3-4-16(24-18)14-11-23-15-8-7-12(10-13(14)15)19-25-26-20(22)28-19/h3-4,6-8,10-11,17,23H,1-2,5,9,21H2,(H2,22,26)/t17-/s2
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n/an/a 0.307n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224980
PNG
(US9321756, 247)
Show SMILES C1CC1c1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(NC2CNC2)o1
Show InChI InChI=1S/C20H19N7O/c1-2-11(1)17-9-22-10-18(25-17)15-8-23-16-4-3-12(5-14(15)16)19-26-27-20(28-19)24-13-6-21-7-13/h3-5,8-11,13,21,23H,1-2,6-7H2,(H,24,27)
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n/an/a 0.346n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM225084
PNG
(US9321756, 53)
Show SMILES FC(F)(F)CNc1nnc(o1)-c1ccc2[nH]cc(-c3nccc(n3)C3CC3)c2c1
Show InChI InChI=1S/C19H15F3N6O/c20-19(21,22)9-25-18-28-27-17(29-18)11-3-4-15-12(7-11)13(8-24-15)16-23-6-5-14(26-16)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,25,28)
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n/an/a 0.407n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224903
PNG
(US9321756, 155)
Show SMILES Cc1cn(cn1)-c1cccc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1
Show InChI InChI=1S/C19H15N7S/c1-11-9-26(10-22-11)17-4-2-3-16(23-17)14-8-21-15-6-5-12(7-13(14)15)18-24-25-19(20)27-18/h2-10,21H,1H3,(H2,20,25)
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n/an/a 0.425n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224998
PNG
(US9321756, 264 | US9321756, 265)
Show SMILES CC(C)Nc1nnc(o1)-c1ccc2[nH]cc(-c3nccc(n3)C3CC3)c2c1
Show InChI InChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-17-14(9-13)15(10-22-17)18-21-8-7-16(24-18)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26)
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n/an/a 0.435n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM14971
PNG
(4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...)
Show SMILES Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-16(23(33)31-18-5-2-4-17(13-18)24(25,26)27)12-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)
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n/an/a 0.460n/a 15n/an/a7.023



Amgen



Assay Description
The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM225077
PNG
(US9321756, 46)
Show SMILES CC(C)Nc1nnc(o1)-c1ccc2[nH]cc(-c3cncc(n3)C3CC3)c2c1
Show InChI InChI=1S/C20H20N6O/c1-11(2)23-20-26-25-19(27-20)13-5-6-16-14(7-13)15(8-22-16)18-10-21-9-17(24-18)12-3-4-12/h5-12,22H,3-4H2,1-2H3,(H,23,26)
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n/an/a 0.498n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum


J Med Chem 55: 4776-87 (2012)


Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.570n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM225042
PNG
(US9321756, 4)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3cncc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C19H19N7O/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
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n/an/a 0.586n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20531
PNG
(N-{6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}qui...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
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n/an/a 0.600n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3497-514 (2007)


Article DOI: 10.1021/jm070189q
BindingDB Entry DOI: 10.7270/Q2W957GV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.620n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM225051
PNG
(US9321756, 13)
Show SMILES CN1CCN(CC1)c1cccc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1
Show InChI InChI=1S/C20H21N7S/c1-26-7-9-27(10-8-26)18-4-2-3-17(23-18)15-12-22-16-6-5-13(11-14(15)16)19-24-25-20(21)28-19/h2-6,11-12,22H,7-10H2,1H3,(H2,21,25)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM225084
PNG
(US9321756, 53)
Show SMILES FC(F)(F)CNc1nnc(o1)-c1ccc2[nH]cc(-c3nccc(n3)C3CC3)c2c1
Show InChI InChI=1S/C19H15F3N6O/c20-19(21,22)9-25-18-28-27-17(29-18)11-3-4-15-12(7-11)13(8-24-15)16-23-6-5-14(26-16)10-1-2-10/h3-8,10,24H,1-2,9H2,(H,25,28)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351929
PNG
(CHEMBL1821820)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C |r|
Show InChI InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224841
PNG
(US9321756, 100)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3cncc(NCC4CC4)n3)c2c1
Show InChI InChI=1S/C18H17N7O/c19-18-25-24-17(26-18)11-3-4-14-12(5-11)13(7-21-14)15-8-20-9-16(23-15)22-6-10-1-2-10/h3-5,7-10,21H,1-2,6H2,(H2,19,25)(H,22,23)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351935
PNG
(CHEMBL1821728)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1 |r|
Show InChI InChI=1S/C27H33N3O2/c1-17-7-5-6-8-23(17)19-9-10-24-20(14-19)15-21(25(28)30-24)13-18(2)26(31)29-22-11-12-32-27(3,4)16-22/h5-10,14-15,18,22H,11-13,16H2,1-4H3,(H2,28,30)(H,29,31)/t18-,22-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM225039
PNG
(US9321756, 1)
Show SMILES CC1CCCCN1c1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)o1
Show InChI InChI=1/C20H21N7O/c1-12-4-2-3-7-27(12)18-11-22-10-17(24-18)15-9-23-16-6-5-13(8-14(15)16)19-25-26-20(21)28-19/h5-6,8-12,23H,2-4,7H2,1H3,(H2,21,26)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224873
PNG
(US9321756, 128)
Show SMILES CNc1nnc(s1)-c1ccc2[nH]cc(-c3nccc(n3)N3CCC[C@H](N)C3)c2c1 |r|
Show InChI InChI=1/C20H22N8S/c1-22-20-27-26-19(29-20)12-4-5-16-14(9-12)15(10-24-16)18-23-7-6-17(25-18)28-8-2-3-13(21)11-28/h4-7,9-10,13,24H,2-3,8,11,21H2,1H3,(H,22,27)/t13-/s2
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50061613
PNG
(CHEMBL3394164 | US9321756, 17)
Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cncc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C19H19N7S/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.800n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50389801
PNG
(CHEMBL2070528)
Show SMILES COc1cc2nncc(-c3cnc(N[C@@H](C)Cc4ccccn4)c(C)c3)c2cc1OC |r|
Show InChI InChI=1S/C24H25N5O2/c1-15-9-17(13-26-24(15)28-16(2)10-18-7-5-6-8-25-18)20-14-27-29-21-12-23(31-4)22(30-3)11-19(20)21/h5-9,11-14,16H,10H2,1-4H3,(H,26,28)/t16-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by...


J Med Chem 55: 4776-87 (2012)


Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224842
PNG
(US9321756, 101)
Show SMILES CC(C)Nc1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)o1
Show InChI InChI=1S/C17H17N7O/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM225041
PNG
(US9321756, 3)
Show SMILES CC1CCCCN1c1ccnc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)o1
Show InChI InChI=1/C20H21N7O/c1-12-4-2-3-9-27(12)17-7-8-22-18(24-17)15-11-23-16-6-5-13(10-14(15)16)19-25-26-20(21)28-19/h5-8,10-12,23H,2-4,9H2,1H3,(H2,21,26)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM224835
PNG
(US9321756, 94)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3nccc(n3)C3CC3)c2c1
Show InChI InChI=1S/C17H14N6O/c18-17-23-22-16(24-17)10-3-4-14-11(7-10)12(8-20-14)15-19-6-5-13(21-15)9-1-2-9/h3-9,20H,1-2H2,(H2,18,23)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224835
PNG
(US9321756, 94)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3nccc(n3)C3CC3)c2c1
Show InChI InChI=1S/C17H14N6O/c18-17-23-22-16(24-17)10-3-4-14-11(7-10)12(8-20-14)15-19-6-5-13(21-15)9-1-2-9/h3-9,20H,1-2H2,(H2,18,23)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50061613
PNG
(CHEMBL3394164 | US9321756, 17)
Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cncc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C19H19N7S/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant PIM3 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...


Bioorg Med Chem Lett 25: 775-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.091
BindingDB Entry DOI: 10.7270/Q2WQ05G8
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM35317
PNG
(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)
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n/an/a 1n/an/an/an/a7.523



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 52: 6189-92 (2009)


Article DOI: 10.1021/jm901081g
BindingDB Entry DOI: 10.7270/Q2TH8K26
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50061609
PNG
(CHEMBL3394074 | US9321756, 206)
Show SMILES CC(C)Nc1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1
Show InChI InChI=1S/C17H17N7S/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant PIM3 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...


Bioorg Med Chem Lett 25: 775-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.091
BindingDB Entry DOI: 10.7270/Q2WQ05G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50061613
PNG
(CHEMBL3394164 | US9321756, 17)
Show SMILES Nc1nnc(s1)-c1ccc2[nH]cc(-c3cncc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C19H19N7S/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant PIM1 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 aft...


Bioorg Med Chem Lett 25: 775-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.091
BindingDB Entry DOI: 10.7270/Q2WQ05G8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM225042
PNG
(US9321756, 4)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3cncc(NC4CCCC4)n3)c2c1
Show InChI InChI=1S/C19H19N7O/c20-19-26-25-18(27-19)11-5-6-15-13(7-11)14(8-22-15)16-9-21-10-17(24-16)23-12-3-1-2-4-12/h5-10,12,22H,1-4H2,(H2,20,26)(H,23,24)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM224980
PNG
(US9321756, 247)
Show SMILES C1CC1c1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(NC2CNC2)o1
Show InChI InChI=1S/C20H19N7O/c1-2-11(1)17-9-22-10-18(25-17)15-8-23-16-4-3-12(5-14(15)16)19-26-27-20(28-19)24-13-6-21-7-13/h3-5,8-11,13,21,23H,1-2,6-7H2,(H,24,27)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM225039
PNG
(US9321756, 1)
Show SMILES CC1CCCCN1c1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)o1
Show InChI InChI=1/C20H21N7O/c1-12-4-2-3-7-27(12)18-11-22-10-17(24-18)15-9-23-16-6-5-13(8-14(15)16)19-25-26-20(21)28-19/h5-6,8-12,23H,2-4,7H2,1H3,(H2,21,26)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM224832
PNG
(US9321756, 91)
Show SMILES C[C@H]1COCCN1c1ccnc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)o1 |r|
Show InChI InChI=1/C19H19N7O2/c1-11-10-27-7-6-26(11)16-4-5-21-17(23-16)14-9-22-15-3-2-12(8-13(14)15)18-24-25-19(20)28-18/h2-5,8-9,11,22H,6-7,10H2,1H3,(H2,20,25)/t11-/s2
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM225040
PNG
(US9321756, 2)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3cncc(n3)N3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C19H17F2N7O/c20-19(21)3-5-28(6-4-19)16-10-23-9-15(25-16)13-8-24-14-2-1-11(7-12(13)14)17-26-27-18(22)29-17/h1-2,7-10,24H,3-6H2,(H2,22,27)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM224828
PNG
(US9321756, 87)
Show SMILES CC(C)Oc1cccc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)o1
Show InChI InChI=1S/C18H17N5O2/c1-10(2)24-16-5-3-4-15(21-16)13-9-20-14-7-6-11(8-12(13)14)17-22-23-18(19)25-17/h3-10,20H,1-2H3,(H2,19,23)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50061609
PNG
(CHEMBL3394074 | US9321756, 206)
Show SMILES CC(C)Nc1cncc(n1)-c1c[nH]c2ccc(cc12)-c1nnc(N)s1
Show InChI InChI=1S/C17H17N7S/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM225078
PNG
(US9321756, 47)
Show SMILES CC(C)Nc1nnc(o1)-c1ccc2[nH]cc(-c3nc(cc(n3)C(O)=O)C3CC3)c2c1
Show InChI InChI=1S/C21H20N6O3/c1-10(2)23-21-27-26-19(30-21)12-5-6-15-13(7-12)14(9-22-15)18-24-16(11-3-4-11)8-17(25-18)20(28)29/h5-11,22H,3-4H2,1-2H3,(H,23,27)(H,28,29)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM224841
PNG
(US9321756, 100)
Show SMILES Nc1nnc(o1)-c1ccc2[nH]cc(-c3cncc(NCC4CC4)n3)c2c1
Show InChI InChI=1S/C18H17N7O/c19-18-25-24-17(26-18)11-3-4-14-12(5-11)13(7-21-14)15-8-20-9-16(23-15)22-6-10-1-2-10/h3-5,7-10,21H,1-2,6H2,(H2,19,25)(H,22,23)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM225014
PNG
(US9321756, 281)
Show SMILES CC(C)Nc1nnc(o1)-c1ccc2[nH]cc(-c3ncc(C(N)=O)c(n3)C3CC3)c2c1
Show InChI InChI=1S/C21H21N7O2/c1-10(2)25-21-28-27-20(30-21)12-5-6-16-13(7-12)14(8-23-16)19-24-9-15(18(22)29)17(26-19)11-3-4-11/h5-11,23H,3-4H2,1-2H3,(H2,22,29)(H,25,28)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM225033
PNG
(US9321756, 300)
Show SMILES CC(C)Nc1nnc(o1)-c1ccc2[nH]cc(-c3cc(=O)[nH]c(n3)C3CC3)c2c1
Show InChI InChI=1S/C20H20N6O2/c1-10(2)22-20-26-25-19(28-20)12-5-6-15-13(7-12)14(9-21-15)16-8-17(27)24-18(23-16)11-3-4-11/h5-11,21H,3-4H2,1-2H3,(H,22,26)(H,23,24,27)
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AMGEN INC.

US Patent


Assay Description
The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112)...


US Patent US9321756 (2016)


BindingDB Entry DOI: 10.7270/Q2W094S2
More data for this
Ligand-Target Pair
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