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BDBM50340143 CHEMBL1760057::N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine

SMILES: C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1

InChI Key: InChIKey=FXDWNCFVVOSWKM-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50340143   
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))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 24n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of INSR


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 81n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 4.13E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 8.99E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cMet


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 2.29E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50340143
PNG
(CHEMBL1760057 | N2-(4-(3-(piperidin-1-yl)propoxy)p...)
Show SMILES C(COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1)CN1CCCCC1
Show InChI InChI=1S/C27H30N6O/c1-4-15-33(16-5-1)17-6-18-34-24-11-9-22(10-12-24)31-27-28-14-13-26(32-27)30-23-19-21-7-2-3-8-25(21)29-20-23/h2-3,7-14,19-20H,1,4-6,15-18H2,(H2,28,30,31,32)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 21: 2394-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.075
BindingDB Entry DOI: 10.7270/Q28G8M0D
More data for this
Ligand-Target Pair