BDBM50186467 CHEMBL210528::N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4-methoxyphenylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
SMILES: COc1ccc(Sc2cnc(NC(=O)c3ccc(cc3)N(C)C)s2)cc1C(=O)N1CCN(CC1)C(C)=O
InChI Key: InChIKey=YWVLIRJSHTUKIM-UHFFFAOYSA-N
Data: 1 IC50
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 ITK/TSK (Homo sapiens (Human)) | BDBM50186467 (CHEMBL210528 | N-(5-(3-(1-acetylpiperazine-4-carbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of Itk | Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR | |||||||||||
More data for this Ligand-Target Pair |