BDBM50186479 CHEMBL208901::N-(5-(5-(1-(2-(dimethylamino)acetyl)piperazine-4-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)cyclopropanecarboxamide

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

InChI Key: InChIKey=AAFLHABTMIJIEE-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 = 50186479   

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))	BDBM50186479 (CHEMBL208901 | N-(5-(5-(1-(2-(dimethylamino)acetyl...) Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)CN(C)C Show InChI InChI=1S/C24H31N5O4S2/c1-15-11-18(33-4)17(23(32)29-9-7-28(8-10-29)20(30)14-27(2)3)12-19(15)34-21-13-25-24(35-21)26-22(31)16-5-6-16/h11-13,16H,5-10,14H2,1-4H3,(H,25,26,31)	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	19	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