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BDBM50202739 CHEMBL395664::N-(4-(4-amino-7-(3-(piperidin-4-ylamino)prop-1-enyl)thieno[3,2-c]pyridin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

SMILES: COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12

InChI Key: InChIKey=DAQLGBCGVAJYAG-FNORWQNLSA-N

Data: 8 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 8 hits for monomerid = 50202739   
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 2.42E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Hck


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 2.62E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Fyn


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 190n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 1.44E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50202739
PNG
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+
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n/an/a 2.65E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Fgr


Bioorg Med Chem Lett 17: 1167-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6
More data for this
Ligand-Target Pair