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BDBM50327912 3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]pyrazole-5-carboxylic acid((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-amide::CHEMBL1258913

SMILES: O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1

InChI Key: InChIKey=ORWIYCURPDKSBI-XMMPIXPASA-N

Data: 37 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50327912   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin receptor


(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 7.01E+3n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Aurora kinase B


(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)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
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)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(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 113n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of RET


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor 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)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
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)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(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 62n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of aurora C


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Aurora kinase A


(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)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of BRK


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of ABL


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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 3.71E+3n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(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 1.97E+3n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of CDC7


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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 1.72E+3n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 1.21E+3n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(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 762n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(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 455n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of PAK4


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST4


(Homo sapiens)
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 412n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of MST4


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(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 332n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
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 181n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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 162n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
High affinity immunoglobulin gamma Fc receptor I


(Homo sapiens)
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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of IGFR1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of IKK2


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of IKKi


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
SRC


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of LYN


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK2


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(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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Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of MET


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NIM1


(Homo sapiens)
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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Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of NIM1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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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Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of ZAP70


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of EGFR1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 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>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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 1.63E+3n/an/an/an/an/an/a



Nerviano Medical Sciences-Oncology

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem 18: 7113-20 (2010)


Article DOI: 10.1016/j.bmc.2010.07.048
BindingDB Entry DOI: 10.7270/Q2Q240GM
More data for this
Ligand-Target Pair