BDBM50186486 1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-2-hydroxybenzoyl)-N-(methylsulfonyl)piperidine-3-carboxamide::CHEMBL211601

SMILES: CS(=O)(=O)NC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O

InChI Key: InChIKey=ITIXOXNOKVMBTE-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50186486   

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))	BDBM50186486 (1-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...) Show SMILES CS(=O)(=O)NC(=O)C1CCCN(C1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C22H22BrN5O5S3/c1-36(32,33)27-20(30)13-4-3-9-28(12-13)21(31)15-10-14(7-8-16(15)29)34-19-11-24-22(35-19)26-18-6-2-5-17(23)25-18/h2,5-8,10-11,13,29H,3-4,9,12H2,1H3,(H,27,30)(H,24,25,26)	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	83	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