BDBM50186464 2-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio)-2-hydroxy-N-methylbenzamido)acetic acid::CHEMBL377906

SMILES: CN(CC(O)=O)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O

InChI Key: InChIKey=RVXCQCJNPVTUQF-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 = 50186464   

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))	BDBM50186464 (2-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylthio...) Show SMILES CN(CC(O)=O)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C18H15BrN4O4S2/c1-23(9-15(25)26)17(27)11-7-10(5-6-12(11)24)28-16-8-20-18(29-16)22-14-4-2-3-13(19)21-14/h2-8,24H,9H2,1H3,(H,25,26)(H,20,21,22)	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	370	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