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Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'cervi' and Initial = 'g'   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31541
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 24)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C22H26N8O/c1-28-8-10-30(11-9-28)16-5-3-4-15(12-16)25-22-24-13-14-6-7-17-19(21(23)31)27-29(2)20(17)18(14)26-22/h3-5,12-13H,6-11H2,1-2H3,(H2,23,31)(H,24,25,26)
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n/an/a 1n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PIM


(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
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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n/an/a 1n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31532
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21)
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n/an/a 2n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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
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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n/an/a 2n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31539
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 22)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C22H26N8O/c1-28-9-11-30(12-10-28)16-6-4-15(5-7-16)25-22-24-13-14-3-8-17-19(21(23)31)27-29(2)20(17)18(14)26-22/h4-7,13H,3,8-12H2,1-2H3,(H2,23,31)(H,24,25,26)
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n/an/a 2n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PIM


(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
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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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327930
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c1-16(17-5-3-2-4-6-17)26-25(32)21-15-20-22(34-21)23(29-28-20)27-24(31)18-7-9-19(10-8-18)30-11-13-33-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,26,32)(H2,27,28,29,31)/t16-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327929
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-17(18-6-4-3-5-7-18)27-26(34)22-16-21-23(35-22)24(30-29-21)28-25(33)19-8-10-20(11-9-19)32-14-12-31(2)13-15-32/h3-11,16-17H,12-15H2,1-2H3,(H,27,34)(H2,28,29,30,33)/t17-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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
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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327928
PNG
(3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMI...)
Show SMILES CC[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1
Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021649
PNG
(CHEMBL3298891)
Show SMILES NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C23H23FN4O2/c24-18-8-4-7-16(9-18)17-10-21-23(30)26-13-19(28(21)14-17)11-22(29)27-20(12-25)15-5-2-1-3-6-15/h1-10,14,19-20H,11-13,25H2,(H,26,30)(H,27,29)/t19-,20+/m0/s1
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327923
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1
Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327927
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(NCc1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C24H23N5O3S/c30-23(17-6-8-18(9-7-17)29-10-12-32-13-11-29)26-22-21-19(27-28-22)14-20(33-21)24(31)25-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,25,31)(H2,26,27,28,30)
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n/an/a 11n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021653
PNG
(CHEMBL3297759)
Show SMILES NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1cccc(F)c1)C1CCCCC1
Show InChI InChI=1S/C23H29FN4O2/c24-18-8-4-7-16(9-18)17-10-21-23(30)26-13-19(28(21)14-17)11-22(29)27-20(12-25)15-5-2-1-3-6-15/h4,7-10,14-15,19-20H,1-3,5-6,11-13,25H2,(H,26,30)(H,27,29)/t19-,20+/m0/s1
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n/an/a 12n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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
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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n/an/a 12n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327915
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-17(18-6-4-3-5-7-18)27-26(34)22-16-21-23(35-22)24(30-29-21)28-25(33)19-8-10-20(11-9-19)32-14-12-31(2)13-15-32/h3-11,16-17H,12-15H2,1-2H3,(H,27,34)(H2,28,29,30,33)/t17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021647
PNG
(CHEMBL3298889)
Show SMILES NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1ccnc(F)c1)c1ccccc1
Show InChI InChI=1S/C22H22FN5O2/c23-20-9-15(6-7-25-20)16-8-19-22(30)26-12-17(28(19)13-16)10-21(29)27-18(11-24)14-4-2-1-3-5-14/h1-9,13,17-18H,10-12,24H2,(H,26,30)(H,27,29)/t17-,18+/m0/s1
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n/an/a 13n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021621
PNG
(CHEMBL3297765)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2ccnc(F)c2)C2CCCCC2)CC1
Show InChI InChI=1S/C27H37FN6O2/c1-32-9-11-33(12-10-32)18-23(19-5-3-2-4-6-19)31-26(35)15-22-16-30-27(36)24-13-21(17-34(22)24)20-7-8-29-25(28)14-20/h7-8,13-14,17,19,22-23H,2-6,9-12,15-16,18H2,1H3,(H,30,36)(H,31,35)/t22-,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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31542
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 25)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c12
Show InChI InChI=1S/C21H23N7O2/c1-27-19-16(18(26-27)20(22)29)7-2-13-12-23-21(25-17(13)19)24-14-3-5-15(6-4-14)28-8-10-30-11-9-28/h3-6,12H,2,7-11H2,1H3,(H2,22,29)(H,23,24,25)
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n/an/a 14n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50327912
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021650
PNG
(CHEMBL3298892)
Show SMILES OC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(cn12)-c1cccc(F)c1)C1CCCCC1
Show InChI InChI=1S/C23H28FN3O3/c24-18-8-4-7-16(9-18)17-10-21-23(30)25-12-19(27(21)13-17)11-22(29)26-20(14-28)15-5-2-1-3-6-15/h4,7-10,13,15,19-20,28H,1-3,5-6,11-12,14H2,(H,25,30)(H,26,29)/t19-,20+/m0/s1
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n/an/a 16n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31544
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 27)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C24H30N8O/c1-24(2)13-15-14-26-23(28-19(15)21-18(24)20(22(25)33)29-31(21)4)27-16-5-7-17(8-6-16)32-11-9-30(3)10-12-32/h5-8,14H,9-13H2,1-4H3,(H2,25,33)(H,26,27,28)
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n/an/a 17n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327926
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C30H35N7O3S/c1-35-11-13-37(14-12-35)23-9-7-22(8-10-23)29(38)32-28-27-24(33-34-28)19-26(41-27)30(39)31-25(21-5-3-2-4-6-21)20-36-15-17-40-18-16-36/h2-10,19,25H,11-18,20H2,1H3,(H,31,39)(H2,32,33,34,38)/t25-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327912
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50327912
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31533
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 16)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)
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n/an/a 19n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31543
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 26)
Show SMILES Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2(C)C
Show InChI InChI=1S/C19H20N6O/c1-19(2)9-11-10-21-18(22-12-7-5-4-6-8-12)23-14(11)16-13(19)15(17(20)26)24-25(16)3/h4-8,10H,9H2,1-3H3,(H2,20,26)(H,21,22,23)
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n/an/a 24n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327925
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O4S/c36-28(21-6-8-22(9-7-21)35-12-16-39-17-13-35)31-27-26-23(32-33-27)18-25(40-26)29(37)30-24(20-4-2-1-3-5-20)19-34-10-14-38-15-11-34/h1-9,18,24H,10-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021619
PNG
(CHEMBL3297763)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2ccc(F)c(F)c2)C2CCCCC2)CC1
Show InChI InChI=1S/C28H37F2N5O2/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)26-14-21(17-35(22)26)20-7-8-23(29)24(30)13-20/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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n/an/a 26n/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)

More data for this
Ligand-Target Pair
Valosin containing protein, p97 subunit


(Homo sapiens (Human))
BDBM50040551
PNG
(CHEMBL3361184)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H28N4O2/c30-24(31)21-13-11-19(12-14-21)17-27-25-28-22(20-9-5-2-6-10-20)15-23(29-25)26-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H,30,31)(H2,26,27,28,29)/t19-,21-
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n/an/a 27n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...


J Med Chem 57: 10443-54 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327924
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C30H35N7O2S/c1-35-15-17-37(18-16-35)23-11-9-22(10-12-23)29(38)32-28-27-24(33-34-28)19-26(40-27)30(39)31-25(20-36-13-5-6-14-36)21-7-3-2-4-8-21/h2-4,7-12,19,25H,5-6,13-18,20H2,1H3,(H,31,39)(H2,32,33,34,38)/t25-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31549
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 32)
Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc-21
Show InChI InChI=1S/C26H33N7O2/c1-26(2)14-16-15-28-25(30-21(16)23-20(26)22(24(34)27-3)31-33(23)5)29-17-6-8-18(9-7-17)35-19-10-12-32(4)13-11-19/h6-9,15,19H,10-14H2,1-5H3,(H,27,34)(H,28,29,30)
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n/an/a 29n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(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
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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n/an/a 30n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM31541
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 24)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C22H26N8O/c1-28-8-10-30(11-9-28)16-5-3-4-15(12-16)25-22-24-13-14-6-7-17-19(21(23)31)27-29(2)20(17)18(14)26-22/h3-5,12-13H,6-11H2,1-2H3,(H2,23,31)(H,24,25,26)
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n/an/a 30n/an/an/an/an/an/a



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31546
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 29)
Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-7-6-8-18(13-17)33-11-9-31(4)10-12-33/h6-8,13,15H,9-12,14H2,1-5H3,(H,26,34)(H,27,28,29)
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n/an/a 31n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327923
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1
Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327922
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H26N6O2S/c1-30-11-13-31(14-12-30)19-9-7-18(8-10-19)24(32)27-23-22-20(28-29-23)15-21(34-22)25(33)26-16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,33)(H2,27,28,29,32)
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n/an/a 32n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021641
PNG
(CHEMBL3298822)
Show SMILES Clc1nccc(n1)-c1cc2C(=O)NCC(CC(=O)NCC3CCCCC3)n2c1
Show InChI InChI=1S/C20H24ClN5O2/c21-20-22-7-6-16(25-20)14-8-17-19(28)24-11-15(26(17)12-14)9-18(27)23-10-13-4-2-1-3-5-13/h6-8,12-13,15H,1-5,9-11H2,(H,23,27)(H,24,28)
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n/an/a 33n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50327912
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of KIT


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31557
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 40)
Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN(C)C)cc3)nc-21
Show InChI InChI=1S/C23H29N7O/c1-23(2)11-15-12-25-22(26-16-9-7-14(8-10-16)13-29(4)5)27-18(15)20-17(23)19(21(31)24-3)28-30(20)6/h7-10,12H,11,13H2,1-6H3,(H,24,31)(H,25,26,27)
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n/an/a 35n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PIM


(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
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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n/an/a 36n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PIM2 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)

More data for this
Ligand-Target Pair
Valosin containing protein, p97 subunit


(Homo sapiens (Human))
BDBM50040550
PNG
(CHEMBL3361185)
Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H26N4O2/c29-23(30)19-13-11-17(12-14-19)16-25-24-27-21(18-7-3-1-4-8-18)15-22(28-24)26-20-9-5-2-6-10-20/h1-10,15,17,19H,11-14,16H2,(H,29,30)(H2,25,26,27,28)/t17-,19-
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n/an/a 36n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...


J Med Chem 57: 10443-54 (2014)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31553
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 36)
Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCOCC4)cc3)nc-21
Show InChI InChI=1S/C25H31N7O2/c1-25(2)13-17-14-27-24(29-20(17)22-19(25)21(23(33)26-3)30-31(22)4)28-18-7-5-16(6-8-18)15-32-9-11-34-12-10-32/h5-8,14H,9-13,15H2,1-4H3,(H,26,33)(H,27,28,29)
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n/an/a 36n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50021643
PNG
(CHEMBL3298886)
Show SMILES Clc1cccc(c1)-c1cc2C(=O)NCC(CC(=O)NCc3ccco3)n2c1
Show InChI InChI=1S/C20H18ClN3O3/c21-15-4-1-3-13(7-15)14-8-18-20(26)23-10-16(24(18)12-14)9-19(25)22-11-17-5-2-6-27-17/h1-8,12,16H,9-11H2,(H,22,25)(H,23,26)
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n/an/a 41n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327921
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC(C)(C)c1ccccc1
Show InChI InChI=1S/C27H30N6O2S/c1-27(2,19-7-5-4-6-8-19)29-26(35)22-17-21-23(36-22)24(31-30-21)28-25(34)18-9-11-20(12-10-18)33-15-13-32(3)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,29,35)(H2,28,30,31,34)
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n/an/a 44n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31540
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 23)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C23H28N8O/c1-24-22(32)20-18-9-4-15-14-25-23(27-19(15)21(18)30(3)28-20)26-16-5-7-17(8-6-16)31-12-10-29(2)11-13-31/h5-8,14H,4,9-13H2,1-3H3,(H,24,32)(H,25,26,27)
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n/an/a 45n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50327920
PNG
(3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C28H30N6O2S/c1-33-13-15-34(16-14-33)20-11-9-19(10-12-20)27(35)30-26-25-23(31-32-26)17-24(37-25)28(36)29-22-8-4-6-18-5-2-3-7-21(18)22/h2-3,5,7,9-12,17,22H,4,6,8,13-16H2,1H3,(H,29,36)(H2,30,31,32,35)
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n/an/a 45n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AurA


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM31545
PNG
(Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...)
Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
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n/an/a 45n/an/an/an/a7.423



Nerviano Medical Sciences Srl



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylat...


J Med Chem 52: 5152-63 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50327912
PNG
(3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)
Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1
Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of aurora B


Bioorg Med Chem 18: 7113-20 (2010)

More data for this
Ligand-Target Pair
Valosin containing protein, p97 subunit


(Homo sapiens (Human))
BDBM50040513
PNG
(CHEMBL3361210)
Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2F)CC1
Show InChI InChI=1S/C25H28FN5O/c26-21-9-5-4-8-20(21)22-14-23(28-15-17-6-2-1-3-7-17)31-25(30-22)29-16-18-10-12-19(13-11-18)24(27)32/h1-9,14,18-19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,19-
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n/an/a 46n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for...


J Med Chem 57: 10443-54 (2014)

More data for this
Ligand-Target Pair
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