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SMILES: COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1

InChI Key: InChIKey=OPMJBWVXRQIVBZ-UHFFFAOYSA-N

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 = 50510569   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 400n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 375n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RON (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 242n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FLT1 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 2n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 356n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 380n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50510569
PNG
(CHEMBL4533153)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C31H32F2N4O6S/c1-41-29-18-24-26(19-30(29)42-16-4-15-37-13-2-3-14-37)34-12-11-27(24)43-28-10-9-23(17-25(28)33)35-31(38)36-44(39,40)20-21-5-7-22(32)8-6-21/h5-12,17-19H,2-4,13-16,20H2,1H3,(H2,35,36,38)
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n/an/a 95n/an/an/an/an/an/a



School of Marine Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Bioorg Med Chem 27: 2801-2812 (2019)


Article DOI: 10.1016/j.bmc.2019.05.007
More data for this
Ligand-Target Pair