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BDBM50215768 1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)-1H-pyrazol-5-ylamino)methyl)pyridin-2-yl)urea::CHEMBL247619

SMILES: CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1

InChI Key: InChIKey=MEQSMKIFBMBPQX-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50215768   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50215768
PNG
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34)
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n/an/a 43n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215768
PNG
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34)
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n/an/a 12n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cKit by FRET assay


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215768
PNG
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34)
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n/an/a 448n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of P-ERK


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50215768
PNG
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34)
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n/an/a 41n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of pAkt


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215768
PNG
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)
Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34)
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n/an/a 191n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of b-Raf


Bioorg Med Chem Lett 17: 4378-81 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7
More data for this
Ligand-Target Pair