BDBM50186471 CHEMBL437495::N-(5-(3-(1-acetylpiperazine-4-carbonyl)phenylthio)thiazol-2-yl)-4-(dimethylamino)benzamide

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1

InChI Key: InChIKey=CNJKPUBUFXVNCF-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 = 50186471   

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))	BDBM50186471 (CHEMBL437495 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C25H27N5O3S2/c1-17(31)29-11-13-30(14-12-29)24(33)19-5-4-6-21(15-19)34-22-16-26-25(35-22)27-23(32)18-7-9-20(10-8-18)28(2)3/h4-10,15-16H,11-14H2,1-3H3,(H,26,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	970	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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