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Compile Data Set for Download or QSAR

Found 334 hits with Last Name = 'molinari' and Initial = 'a'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50436584
PNG
(CHEMBL2397802)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrClN5/c20-14-8-6-13(7-9-14)17(21)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)
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60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50102903
PNG
(CHEMBL3394092)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50102903
PNG
(CHEMBL3394092)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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130n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50224368
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(m...)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H17Cl2N5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50436584
PNG
(CHEMBL2397802)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrClN5/c20-14-8-6-13(7-9-14)17(21)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)
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610n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224368
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(m...)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H17Cl2N5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354489
PNG
(CHEMBL1836680)
Show SMILES CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20BrN5S/c1-14(15-7-4-3-5-8-15)13-27-20-18(12-23-27)19(25-21(26-20)28-2)24-17-10-6-9-16(22)11-17/h3-12,14H,13H2,1-2H3,(H,24,25,26)
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1.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50238531
PNG
(CHEMBL2407628)
Show SMILES CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50238533
PNG
(CHEMBL4060917)
Show SMILES CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50238533
PNG
(CHEMBL4060917)
Show SMILES CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50238532
PNG
(CHEMBL4084427)
Show SMILES CSc1nc(N(C(=O)OC(C)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50238530
PNG
(CHEMBL4087882)
Show SMILES CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)CC1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50238532
PNG
(CHEMBL4084427)
Show SMILES CSc1nc(N(C(=O)OC(C)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50238530
PNG
(CHEMBL4087882)
Show SMILES CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)CC1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50238531
PNG
(CHEMBL2407628)
Show SMILES CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL




J Med Chem 60: 6305-6320 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00637
BindingDB Entry DOI: 10.7270/Q2HT2RMG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50329463
PNG
(2-Phenyl-5-(2-phenylamino-pyrimidin-4-yl)-1H-pyrro...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H17N5O/c22-20(27)16-13-18(25-19(16)14-7-3-1-4-8-14)17-11-12-23-21(26-17)24-15-9-5-2-6-10-15/h1-13,25H,(H2,22,27)(H,23,24,26)
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n/an/a<1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of BRK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ERK2


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FAK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ALK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdk5/P25


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdk4/cyclin D1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CHK1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of AUR2


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50329437
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES CNC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C16H15N5O/c1-18-15(22)11-9-13(12-7-8-19-16(17)21-12)20-14(11)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,18,22)(H2,17,19,21)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PIM1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of TRKA


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50329419
PNG
(5-(2-amino-5-bromopyrimidin-4-yl)-2-p-tolyl-1H-pyr...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Br
Show InChI InChI=1S/C15H12BrN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Eukaryotic elongation factor 2 kinase


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of EEF2K


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of AUR1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of ABL


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of P38beta


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PAK4


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50329435
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES Nc1nccc(n1)-c1cc(C(=O)NCc2ccccc2)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C22H19N5O/c23-22-24-12-11-18(27-22)19-13-17(20(26-19)16-9-5-2-6-10-16)21(28)25-14-15-7-3-1-4-8-15/h1-13,26H,14H2,(H,25,28)(H2,23,24,27)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50329436
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES CC(C)NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C18H19N5O/c1-11(2)21-17(24)13-10-15(14-8-9-20-18(19)23-14)22-16(13)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,21,24)(H2,19,20,23)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PDK1


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50329417
PNG
(5-(3-Fluoro-pyridin-4-yl)-2-phenyl-1H-pyrrole-3-ca...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccncc1F
Show InChI InChI=1S/C16H12FN3O/c17-13-9-19-7-6-11(13)14-8-12(16(18)21)15(20-14)10-4-2-1-3-5-10/h1-9,20H,(H2,18,21)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
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