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Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'piutti' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191095
PNG
(US9181258, 93)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(O)cc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)31-17-3-1-2-14(10-17)18-11-19-21(30)27-12-15(8-9-26)28(19)20(18)13-4-6-16(29)7-5-13/h1-7,10-11,15,29H,8-9,12,26H2,(H,27,30)/t15-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191129
PNG
(US9181258, 130)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)C3(N)CC3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)34-19-3-1-2-16(12-19)20-13-21-23(33)31-14-18(8-11-29)32(21)22(20)15-4-6-17(7-5-15)24(30)9-10-24/h1-7,12-13,18H,8-11,14,29-30H2,(H,31,33)/t18-/m0/s1
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n/an/a 1n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191074
PNG
(US9181258, 82)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NCC(CCOC(=O)C(F)(F)F)n23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1/C30H30F6N4O4/c1-38-10-12-39(13-11-38)18-19-5-7-20(8-6-19)26-24(21-3-2-4-23(15-21)44-30(34,35)36)16-25-27(41)37-17-22(40(25)26)9-14-43-28(42)29(31,32)33/h2-8,15-16,22H,9-14,17-18H2,1H3,(H,37,41)
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191119
PNG
(US9181258, 120)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)S(N)(=O)=O)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)33-16-3-1-2-14(10-16)18-11-19-21(30)28-12-15(8-9-26)29(19)20(18)13-4-6-17(7-5-13)34(27,31)32/h1-7,10-11,15H,8-9,12,26H2,(H,28,30)(H2,27,31,32)/t15-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191114
PNG
(US9181258, 135)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NC[C@H](CCCN)n23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C29H34F3N5O2/c1-35-12-14-36(15-13-35)19-20-7-9-21(10-8-20)27-25(22-4-2-6-24(16-22)39-29(30,31)32)17-26-28(38)34-18-23(37(26)27)5-3-11-33/h2,4,6-10,16-17,23H,3,5,11-15,18-19,33H2,1H3,(H,34,38)/t23-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191100
PNG
(US9181258, 96)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N3O4S/c1-34(31,32)18-7-5-14(6-8-18)21-19(15-3-2-4-17(11-15)33-23(24,25)26)12-20-22(30)28-13-16(9-10-27)29(20)21/h2-8,11-12,16H,9-10,13,27H2,1H3,(H,28,30)/t16-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191104
PNG
(US9181258, 101)
Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H27F3N4O2/c1-31(2)15-16-6-8-17(9-7-16)23-21(18-4-3-5-20(12-18)34-25(26,27)28)13-22-24(33)30-14-19(10-11-29)32(22)23/h3-9,12-13,19H,10-11,14-15,29H2,1-2H3,(H,30,33)/t19-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191103
PNG
(US9181258, 100)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NC[C@H](CCN)n23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-34-11-13-35(14-12-34)18-19-5-7-20(8-6-19)26-24(21-3-2-4-23(15-21)38-28(29,30)31)16-25-27(37)33-17-22(9-10-32)36(25)26/h2-8,15-16,22H,9-14,17-18,32H2,1H3,(H,33,37)/t22-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021618
PNG
(CHEMBL3297762 | US9145418, 2)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with .sup.33P-....


US Patent US9145418 (2015)


BindingDB Entry DOI: 10.7270/Q218359X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021624
PNG
(CHEMBL3297766 | US9145418, 23)
Show SMILES CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C30H42ClN5O2/c1-34(2)25-11-13-35(14-12-25)20-27(21-7-4-3-5-8-21)33-29(37)17-26-18-32-30(38)28-16-23(19-36(26)28)22-9-6-10-24(31)15-22/h6,9-10,15-16,19,21,25-27H,3-5,7-8,11-14,17-18,20H2,1-2H3,(H,32,38)(H,33,37)/t26-,27+/m0/s1
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...


Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021624
PNG
(CHEMBL3297766 | US9145418, 23)
Show SMILES CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C30H42ClN5O2/c1-34(2)25-11-13-35(14-12-25)20-27(21-7-4-3-5-8-21)33-29(37)17-26-18-32-30(38)28-16-23(19-36(26)28)22-9-6-10-24(31)15-22/h6,9-10,15-16,19,21,25-27H,3-5,7-8,11-14,17-18,20H2,1-2H3,(H,32,38)(H,33,37)/t26-,27+/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with .sup.33P-....


US Patent US9145418 (2015)


BindingDB Entry DOI: 10.7270/Q218359X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021620
PNG
(CHEMBL3297764 | US9145418, 26)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cc(Cl)ccc2F)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C28H37ClFN5O2/c1-33-9-11-34(12-10-33)18-25(19-5-3-2-4-6-19)32-27(36)15-22-16-31-28(37)26-13-20(17-35(22)26)23-14-21(29)7-8-24(23)30/h7-8,13-14,17,19,22,25H,2-6,9-12,15-16,18H2,1H3,(H,31,37)(H,32,36)/t22-,25+/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with .sup.33P-....


US Patent US9145418 (2015)


BindingDB Entry DOI: 10.7270/Q218359X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021620
PNG
(CHEMBL3297764 | US9145418, 26)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cc(Cl)ccc2F)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C28H37ClFN5O2/c1-33-9-11-34(12-10-33)18-25(19-5-3-2-4-6-19)32-27(36)15-22-16-31-28(37)26-13-20(17-35(22)26)23-14-21(29)7-8-24(23)30/h7-8,13-14,17,19,22,25H,2-6,9-12,15-16,18H2,1H3,(H,31,37)(H,32,36)/t22-,25+/m0/s1
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...


Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM191103
PNG
(US9181258, 100)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc3C(=O)NC[C@H](CCN)n23)-c2cccc(OC(F)(F)F)c2)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-34-11-13-35(14-12-34)18-19-5-7-20(8-6-19)26-24(21-3-2-4-23(15-21)38-28(29,30)31)16-25-27(37)33-17-22(9-10-32)36(25)26/h2-8,15-16,22H,9-14,17-18,32H2,1H3,(H,33,37)/t22-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7107
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
Show InChI InChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1
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Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7111
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)(H2,20,21,22,24)/t11-/m0/s1
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Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191113
PNG
(US9181258, 134)
Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C26H29F3N4O2/c1-32(2)16-17-8-10-18(11-9-17)24-22(19-5-3-7-21(13-19)35-26(27,28)29)14-23-25(34)31-15-20(33(23)24)6-4-12-30/h3,5,7-11,13-14,20H,4,6,12,15-16,30H2,1-2H3,(H,31,34)/t20-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191102
PNG
(US9181258, 99)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(CN4CCOCC4)cc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C27H29F3N4O3/c28-27(29,30)37-22-3-1-2-20(14-22)23-15-24-26(35)32-16-21(8-9-31)34(24)25(23)19-6-4-18(5-7-19)17-33-10-12-36-13-11-33/h1-7,14-15,21H,8-13,16-17,31H2,(H,32,35)/t21-/m0/s1
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n/an/a 2n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7163
PNG
(3-Phenylacetamidoaminopyrazole deriv. 40 | CS10 | ...)
Show SMILES O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 3n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191120
PNG
(US9181258, 126 | US9181258, 129)
Show SMILES COc1ccc(cc1Cl)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H21ClF3N3O3/c1-32-20-6-5-14(10-18(20)24)21-17(13-3-2-4-16(9-13)33-23(25,26)27)11-19-22(31)29-12-15(7-8-28)30(19)21/h2-6,9-11,15H,7-8,12,28H2,1H3,(H,29,31)/t15-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM191119
PNG
(US9181258, 120)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)S(N)(=O)=O)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N4O4S/c23-22(24,25)33-16-3-1-2-14(10-16)18-11-19-21(30)28-12-15(8-9-26)29(19)20(18)13-4-6-17(7-5-13)34(27,31)32/h1-7,10-11,15H,8-9,12,26H2,(H,28,30)(H2,27,31,32)/t15-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191126
PNG
(US9181258, 121)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3cccc(F)c3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H19F4N3O2/c23-15-5-1-4-14(9-15)20-18(13-3-2-6-17(10-13)31-22(24,25)26)11-19-21(30)28-12-16(7-8-27)29(19)20/h1-6,9-11,16H,7-8,12,27H2,(H,28,30)/t16-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191110
PNG
(US9181258, 115)
Show SMILES CN(C)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H25F3N4O2/c1-30(2)17-8-6-15(7-9-17)22-20(16-4-3-5-19(12-16)33-24(25,26)27)13-21-23(32)29-14-18(10-11-28)31(21)22/h3-9,12-13,18H,10-11,14,28H2,1-2H3,(H,29,32)/t18-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM191100
PNG
(US9181258, 96)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N3O4S/c1-34(31,32)18-7-5-14(6-8-18)21-19(15-3-2-4-17(11-15)33-23(24,25)26)12-20-22(30)28-13-16(9-10-27)29(20)21/h2-8,11-12,16H,9-10,13,27H2,1H3,(H,28,30)/t16-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM191129
PNG
(US9181258, 130)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(cc3)C3(N)CC3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)34-19-3-1-2-16(12-19)20-13-21-23(33)31-14-18(8-11-29)32(21)22(20)15-4-6-17(7-5-15)24(30)9-10-24/h1-7,12-13,18H,8-11,14,29-30H2,(H,31,33)/t18-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191109
PNG
(US9181258, 116)
Show SMILES COc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N3O3/c1-31-17-7-5-14(6-8-17)21-19(15-3-2-4-18(11-15)32-23(24,25)26)12-20-22(30)28-13-16(9-10-27)29(20)21/h2-8,11-12,16H,9-10,13,27H2,1H3,(H,28,30)/t16-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7162
PNG
(3-Phenylacetamidoaminopyrazole deriv. 39 | 4 -{2-[...)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H20N4O2/c22-21(27)17-9-5-15(6-10-17)14-3-1-13(2-4-14)11-20(26)23-19-12-18(24-25-19)16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H2,22,27)(H2,23,24,25,26)
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Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191107
PNG
(US9181258, 104)
Show SMILES NCCC[C@H]1CNC(=O)c2cc(c(-c3ccc(O)cc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)32-18-5-1-3-15(11-18)19-12-20-22(31)28-13-16(4-2-10-27)29(20)21(19)14-6-8-17(30)9-7-14/h1,3,5-9,11-12,16,30H,2,4,10,13,27H2,(H,28,31)/t16-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7159
PNG
(3-Phenylacetamidoaminopyrazole deriv. 36 | N-(5-Cy...)
Show SMILES Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C20H18FN3O/c21-17-3-1-2-16(11-17)14-6-4-13(5-7-14)10-20(25)22-19-12-18(23-24-19)15-8-9-15/h1-7,11-12,15H,8-10H2,(H2,22,23,24,25)
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Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191083
PNG
(US9181258, 33)
Show SMILES NCCC1CNC(=O)c2cc(c(-c3ccc(CO)cc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C23H22F3N3O3/c24-23(25,26)32-18-3-1-2-16(10-18)19-11-20-22(31)28-12-17(8-9-27)29(20)21(19)15-6-4-14(13-30)5-7-15/h1-7,10-11,17,30H,8-9,12-13,27H2,(H,28,31)
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191075
PNG
(US9181258, 83)
Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NCC(CCOC(=O)C(F)(F)F)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C27H25F6N3O4/c1-35(2)15-16-6-8-17(9-7-16)23-21(18-4-3-5-20(12-18)40-27(31,32)33)13-22-24(37)34-14-19(36(22)23)10-11-39-25(38)26(28,29)30/h3-9,12-13,19H,10-11,14-15H2,1-2H3,(H,34,37)
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191078
PNG
(US9181258, 92)
Show SMILES Cc1cccc(c1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3N3O2/c1-14-4-2-6-16(10-14)21-19(15-5-3-7-18(11-15)31-23(24,25)26)12-20-22(30)28-13-17(8-9-27)29(20)21/h2-7,10-12,17H,8-9,13,27H2,1H3,(H,28,30)/t17-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021622
PNG
(CHEMBL3297767)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C(C)(C)C)CC1 |r|
Show InChI InChI=1S/C26H36ClN5O2/c1-26(2,3)23(17-31-10-8-30(4)9-11-31)29-24(33)14-21-15-28-25(34)22-13-19(16-32(21)22)18-6-5-7-20(27)12-18/h5-7,12-13,16,21,23H,8-11,14-15,17H2,1-4H3,(H,28,34)(H,29,33)/t21-,23+/m0/s1
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Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...


Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM182824
PNG
(US9145418, 10)
Show SMILES CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2ccnc(F)c2)C2CCCCC2)CC1
Show InChI InChI=1S/C29H41FN6O2/c1-34(2)23-9-12-35(13-10-23)19-25(20-6-4-3-5-7-20)33-28(37)16-24-17-32-29(38)26-14-22(18-36(24)26)21-8-11-31-27(30)15-21/h8,11,14-15,18,20,23-25H,3-7,9-10,12-13,16-17,19H2,1-2H3,(H,32,38)(H,33,37)/t24-,25+/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with .sup.33P-....


US Patent US9145418 (2015)


BindingDB Entry DOI: 10.7270/Q218359X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191099
PNG
(US9181258, 95)
Show SMILES CC(=O)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H22F3N3O3/c1-14(31)15-5-7-16(8-6-15)22-20(17-3-2-4-19(11-17)33-24(25,26)27)12-21-23(32)29-13-18(9-10-28)30(21)22/h2-8,11-12,18H,9-10,13,28H2,1H3,(H,29,32)/t18-/m0/s1
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NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191117
PNG
(US9181258, 112)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc4OCOc4c3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N3O4/c24-23(25,26)33-16-3-1-2-13(8-16)17-10-18-22(30)28-11-15(6-7-27)29(18)21(17)14-4-5-19-20(9-14)32-12-31-19/h1-5,8-10,15H,6-7,11-12,27H2,(H,28,30)/t15-/m0/s1
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n/an/a 6n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191091
PNG
(US9181258, 78)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1c(cc2C(=O)NCC(CCO)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C27H29F3N4O4/c1-33(2)12-11-31-25(36)18-8-6-17(7-9-18)24-22(19-4-3-5-21(14-19)38-27(28,29)30)15-23-26(37)32-16-20(10-13-35)34(23)24/h3-9,14-15,20,35H,10-13,16H2,1-2H3,(H,31,36)(H,32,37)
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n/an/a 6n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191101
PNG
(US9181258, 97)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(C=O)cc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)32-18-3-1-2-16(10-18)19-11-20-22(31)28-12-17(8-9-27)29(20)21(19)15-6-4-14(13-30)5-7-15/h1-7,10-11,13,17H,8-9,12,27H2,(H,28,31)/t17-/m0/s1
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n/an/a 7n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM191102
PNG
(US9181258, 99)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccc(CN4CCOCC4)cc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C27H29F3N4O3/c28-27(29,30)37-22-3-1-2-20(14-22)23-15-24-26(35)32-16-21(8-9-31)34(24)25(23)19-6-4-18(5-7-19)17-33-10-12-36-13-11-33/h1-7,14-15,21H,8-13,16-17,31H2,(H,32,35)/t21-/m0/s1
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n/an/a 7n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191089
PNG
(US9181258, 77)
Show SMILES NC(=O)c1ccc(cc1)-c1c(cc2C(=O)NCC(CCO)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C23H20F3N3O4/c24-23(25,26)33-17-3-1-2-15(10-17)18-11-19-22(32)28-12-16(8-9-30)29(19)20(18)13-4-6-14(7-5-13)21(27)31/h1-7,10-11,16,30H,8-9,12H2,(H2,27,31)(H,28,32)
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n/an/a 7n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191070
PNG
(US9181258, 28)
Show SMILES NCCC1CNC(=O)c2cc(c(-c3ccccc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)
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n/an/a 7n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191133
PNG
(US9181258, 149)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCNC(N)=N)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H24F3N5O4S/c1-37(34,35)18-7-5-14(6-8-18)21-19(15-3-2-4-17(11-15)36-24(25,26)27)12-20-22(33)31-13-16(32(20)21)9-10-30-23(28)29/h2-8,11-12,16H,9-10,13H2,1H3,(H,31,33)(H4,28,29,30)/t16-/m0/s1
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n/an/a 8n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191132
PNG
(US9181258, 148)
Show SMILES Cc1cccc(c1)-c1c(cc2C(=O)NC[C@H](CCNC(N)=N)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C24H24F3N5O2/c1-14-4-2-6-16(10-14)21-19(15-5-3-7-18(11-15)34-24(25,26)27)12-20-22(33)31-13-17(32(20)21)8-9-30-23(28)29/h2-7,10-12,17H,8-9,13H2,1H3,(H,31,33)(H4,28,29,30)/t17-/m0/s1
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n/an/a 8n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191122
PNG
(US9181258, 128)
Show SMILES COc1c(C)cc(cc1C)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H26F3N3O3/c1-14-9-17(10-15(2)23(14)33-3)22-20(16-5-4-6-19(11-16)34-25(26,27)28)12-21-24(32)30-13-18(7-8-29)31(21)22/h4-6,9-12,18H,7-8,13,29H2,1-3H3,(H,30,32)/t18-/m0/s1
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n/an/a 8n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM182823
PNG
(US9145418, 6)
Show SMILES CN(C)C1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2ccc(F)c(F)c2)C2CCCCC2)CC1
Show InChI InChI=1S/C30H41F2N5O2/c1-35(2)23-10-12-36(13-11-23)19-27(20-6-4-3-5-7-20)34-29(38)16-24-17-33-30(39)28-15-22(18-37(24)28)21-8-9-25(31)26(32)14-21/h8-9,14-15,18,20,23-24,27H,3-7,10-13,16-17,19H2,1-2H3,(H,33,39)(H,34,38)/t24-,27+/m0/s1
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n/an/a 8n/an/an/an/a3.0n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with .sup.33P-....


US Patent US9145418 (2015)


BindingDB Entry DOI: 10.7270/Q218359X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191081
PNG
(US9181258, 32)
Show SMILES NCCC1CNC(=O)c2cc(c(-c3cccc(N)c3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1/C22H21F3N4O2/c23-22(24,25)31-17-6-2-3-13(10-17)18-11-19-21(30)28-12-16(7-8-26)29(19)20(18)14-4-1-5-15(27)9-14/h1-6,9-11,16H,7-8,12,26-27H2,(H,28,30)
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n/an/a 8n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM191104
PNG
(US9181258, 101)
Show SMILES CN(C)Cc1ccc(cc1)-c1c(cc2C(=O)NC[C@H](CCN)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H27F3N4O2/c1-31(2)15-16-6-8-17(9-7-16)23-21(18-4-3-5-20(12-18)34-25(26,27)28)13-22-24(33)30-14-19(10-11-29)32(22)23/h3-9,12-13,19H,10-11,14-15,29H2,1-2H3,(H,30,33)/t19-/m0/s1
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n/an/a 9n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7160
PNG
(3-Phenylacetamidoaminopyrazole deriv. 37 | N-(5-Cy...)
Show SMILES Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H21N3O/c1-14-3-2-4-18(11-14)16-7-5-15(6-8-16)12-21(25)22-20-13-19(23-24-20)17-9-10-17/h2-8,11,13,17H,9-10,12H2,1H3,(H2,22,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM191077
PNG
(US9181258, 87)
Show SMILES NCC[C@H]1CNC(=O)c2cc(c(-c3ccccc3)n12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1
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n/an/a 9n/an/an/an/a7.5n/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Spec...


US Patent US9181258 (2015)


BindingDB Entry DOI: 10.7270/Q2862F7F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50021617
PNG
(CHEMBL3297761)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(F)c2)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C28H38FN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting anal...


Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
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