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BDBM50340121 CHEMBL1760035::N4-(quinolin-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

SMILES: COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC

InChI Key: InChIKey=FHDPQTHZTKXVCW-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 = 50340121   
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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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PubMed
n/an/a 3n/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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 2.5n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 19n/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
Aurora kinase A


(Homo sapiens (Human))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 746n/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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 2.11E+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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 853n/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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 94n/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))
BDBM50340121
PNG
(CHEMBL1760035 | N4-(quinolin-3-yl)-N2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O3/c1-28-18-11-15(12-19(29-2)21(18)30-3)26-22-23-9-8-20(27-22)25-16-10-14-6-4-5-7-17(14)24-13-16/h4-13H,1-3H3,(H2,23,25,26,27)
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n/an/a 711n/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