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BDBM50276017 3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluoromethyl)phenol::CHEMBL470175

SMILES: Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F

InChI Key: InChIKey=LDMSFYNGFVTKRW-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 = 50276017   
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))
BDBM50276017
PNG
(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluo...)
Show SMILES Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-5-9(7-10(22)6-8)20-13-19-2-1-11(21-13)12-18-3-4-23-12/h1-7,22H,(H,19,20,21)
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PC sid
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Article
PubMed
44n/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))
BDBM50276017
PNG
(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluo...)
Show SMILES Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-5-9(7-10(22)6-8)20-13-19-2-1-11(21-13)12-18-3-4-23-12/h1-7,22H,(H,19,20,21)
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754n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50276017
PNG
(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluo...)
Show SMILES Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-5-9(7-10(22)6-8)20-13-19-2-1-11(21-13)12-18-3-4-23-12/h1-7,22H,(H,19,20,21)
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KEGG

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991n/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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50276017
PNG
(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluo...)
Show SMILES Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-5-9(7-10(22)6-8)20-13-19-2-1-11(21-13)12-18-3-4-23-12/h1-7,22H,(H,19,20,21)
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1.65E+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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50276017
PNG
(3-(4-(thiazol-2-yl)pyrimidin-2-ylamino)-5-(trifluo...)
Show SMILES Oc1cc(Nc2nccc(n2)-c2nccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-5-9(7-10(22)6-8)20-13-19-2-1-11(21-13)12-18-3-4-23-12/h1-7,22H,(H,19,20,21)
PDB
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NCI pathway
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KEGG

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PC cid
PC sid
UniChem
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PubMed
n/an/a 410n/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