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BDBM50202735 CHEMBL395666::N-(4-(4-amino-7-(3-((1s,4s)-4-aminocyclohexylamino)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\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12

InChI Key: InChIKey=FRQGIFZNGIECRT-XPNRABICSA-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 = 50202735   
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))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 570n/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 Lck


(Homo sapiens (Human))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 480n/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))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 2.71E+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 HCK


(Homo sapiens (Human))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 2.01E+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 Fyn


(Homo sapiens (Human))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 2.63E+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))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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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 Lyn


(Homo sapiens (Human))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 1.29E+4n/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 Fgr


(Homo sapiens (Human))
BDBM50202735
PNG
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+
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n/an/a 2.17E+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