BindingDB PrimarySearch

BDBM50275935 (S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-N-(1-hydroxypropan-2-yl)-4-methylthiazole-5-carboxamide::2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide::CHEMBL512172

SMILES: C[C@@H](CO)NC(=O)c1sc(nc1C)-c1ccnc(Nc2cc(C)cc(C)c2)n1

InChI Key: InChIKey=PEGXADGTBNRSGV-ZDUSSCGKSA-N

Data: 4 KI 2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50275935
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50275935 ((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	9	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
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50275935 ((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	240	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
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50275935 ((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>3.33E+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
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50275935 ((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>3.33E+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
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50275935 ((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 m...				Bioorg Med Chem Lett 27: 1776-1779 (2017) Article DOI: 10.1016/j.bmcl.2017.02.060 BindingDB Entry DOI: 10.7270/Q2H41TQC
Second Military Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50275935 ((S)-2-(2-(3,5-dimethylphenylamino)pyrimidin-4-yl)-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB 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
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)