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BDBM50215761 1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)thiazol-4-ylamino)methyl)pyridin-2-yl)-3-methylurea::CHEMBL247250

SMILES: CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1

InChI Key: InChIKey=APMQKHHNTLVDQD-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 = 50215761   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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PubMed
n/an/a 69n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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PubMed
n/an/a 3n/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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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Article
PubMed
n/an/a 508n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
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PubMed
n/an/a 5n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50215761
PNG
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)
Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1
Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 24n/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