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BDBM50275357 CHEMBL451450::N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine

SMILES: COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F

InChI Key: InChIKey=ZCPTVEVIYXDFQI-UHFFFAOYSA-N

Data: 4 KI  1 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 = 50275357   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50275357
PNG
(CHEMBL451450 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
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23n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem Lett 18: 6231-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.106
BindingDB Entry DOI: 10.7270/Q25Q4VZT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM50275357
PNG
(CHEMBL451450 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
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1.14E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ZAP70 (unknown origin)


Bioorg Med Chem Lett 18: 6231-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.106
BindingDB Entry DOI: 10.7270/Q25Q4VZT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50275357
PNG
(CHEMBL451450 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
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>2.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6231-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.106
BindingDB Entry DOI: 10.7270/Q25Q4VZT
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50275357
PNG
(CHEMBL451450 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
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3.70E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


Bioorg Med Chem Lett 18: 6231-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.106
BindingDB Entry DOI: 10.7270/Q25Q4VZT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50275357
PNG
(CHEMBL451450 | N-(3-methoxy-5-(trifluoromethyl)phe...)
Show SMILES COc1cc(Nc2nccc(n2)-c2ncc(C)s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4OS/c1-9-8-21-14(25-9)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(7-11)24-2/h3-8H,1-2H3,(H,20,22,23)
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n/an/a 220n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)-mediated FCepsilonRI signaling activity by mast cell degranulation assay


Bioorg Med Chem Lett 18: 6231-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.106
BindingDB Entry DOI: 10.7270/Q25Q4VZT
More data for this
Ligand-Target Pair