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BDBM50035526 CHEMBL3343621

SMILES: Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O

InChI Key: InChIKey=RSMAHTSDYGXRPV-JFLMPSFJSA-N

Data: 10 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 10 hits for monomerid = 50035526   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a 27n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified PI3Kalpha (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a 770n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified mTOR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified B-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified C-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified KDR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified VEGFR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified PDGFRbeta (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified FLT3 (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a 5.60E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified KIT (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50035526
PNG
(CHEMBL3343621)
Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O
Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of purified EGFR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay


Eur J Med Chem 87: 782-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z
More data for this
Ligand-Target Pair