BDBM50186459 CHEMBL211842::N-(5-(5-(1-acetylpiperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)cyclopropanecarboxamide

SMILES: COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O

InChI Key: InChIKey=SGLIHNHGVBCTKU-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 = 50186459   

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))	BDBM50186459 (CHEMBL211842 | N-(5-(5-(1-acetylpiperazine-4-carbo...) Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C22H26N4O4S2/c1-13-10-17(30-3)16(21(29)26-8-6-25(7-9-26)14(2)27)11-18(13)31-19-12-23-22(32-19)24-20(28)15-4-5-15/h10-12,15H,4-9H2,1-3H3,(H,23,24,28)	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	9	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