BDBM50186458 CHEMBL273966::N-(5-(3-(1-acetylpiperazine-4-carbonyl)benzyl)thiazol-2-yl)-4-(dimethylamino)benzamide

SMILES: CN(C)c1ccc(cc1)C(=O)Nc1ncc(Cc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1

InChI Key: InChIKey=ZJRLORBIIUEFCY-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 = 50186458   

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))	BDBM50186458 (CHEMBL273966 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Cc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C26H29N5O3S/c1-18(32)30-11-13-31(14-12-30)25(34)21-6-4-5-19(15-21)16-23-17-27-26(35-23)28-24(33)20-7-9-22(10-8-20)29(2)3/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	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