BDBM50249318 2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4-methylthiazol-5-yl)ethanol::CHEMBL471727

SMILES: Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1

InChI Key: InChIKey=QIYHYLDEYCTUSQ-UHFFFAOYSA-N

Data: 4 KI  2 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 6 hits for monomerid = 50249318   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50249318 (2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...) Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50249318 (2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...) Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50249318 (2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...) Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50249318 (2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...) Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50249318 (2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...) Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/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
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50249318 (2-(2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-4...) Show SMILES Cc1nc(sc1CCO)-c1ccnc(Nc2cc(C)cc(C)c2)n1 Show InChI InChI=1S/C18H20N4OS/c1-11-8-12(2)10-14(9-11)21-18-19-6-4-15(22-18)17-20-13(3)16(24-17)5-7-23/h4,6,8-10,23H,5,7H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant Syk (unknown origin)				Bioorg Med Chem Lett 19: 1944-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.049 BindingDB Entry DOI: 10.7270/Q2WM1D98
					More data for this Ligand-Target Pair