BDBM50186455 1-(4-(3-(2-(thiazol-2-ylamino)thiazol-5-ylthio)benzoyl)piperazin-1-yl)ethanone::CHEMBL208541

SMILES: CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3nccs3)s2)c1

InChI Key: InChIKey=DPCITOXJVNGDHY-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 = 50186455   

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))	BDBM50186455 (1-(4-(3-(2-(thiazol-2-ylamino)thiazol-5-ylthio)ben...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(Sc2cnc(Nc3nccs3)s2)c1 Show InChI InChI=1S/C19H19N5O2S3/c1-13(25)23-6-8-24(9-7-23)17(26)14-3-2-4-15(11-14)28-16-12-21-19(29-16)22-18-20-5-10-27-18/h2-5,10-12H,6-9H2,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.07E+3	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