BDBM50186498 CHEMBL209400::N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylphenylthio)thiazol-2-yl)-4-(dimethylamino)benzamide

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1

InChI Key: InChIKey=NSUWPDMYMLHMAE-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 = 50186498   

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))	BDBM50186498 (CHEMBL209400 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C27H31N5O3S2/c1-17-14-22(15-23(18(17)2)26(35)32-12-10-31(11-13-32)19(3)33)36-24-16-28-27(37-24)29-25(34)20-6-8-21(9-7-20)30(4)5/h6-9,14-16H,10-13H2,1-5H3,(H,28,29,34)	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	210	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
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