BDBM50345594 3-((6-acetamidopyridin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide::CHEMBL1784627

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=BWDSKXFAOOVNIM-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 = 50345594   

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 ABL1 (Homo sapiens (Human))	BDBM50345594 (3-((6-acetamidopyridin-3-yl)ethynyl)-4-methyl-N-(4...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H30F3N5O2/c1-20-4-7-24(16-23(20)8-5-22-6-11-28(34-18-22)35-21(2)39)29(40)36-26-10-9-25(27(17-26)30(31,32)33)19-38-14-12-37(3)13-15-38/h4,6-7,9-11,16-18H,12-15,19H2,1-3H3,(H,36,40)(H,34,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human ABL using [EAIYAAPFAKKK] peptide substrate by Hotspot assay				Bioorg Med Chem Lett 21: 3743-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.060 BindingDB Entry DOI: 10.7270/Q21G0MM8
					More data for this Ligand-Target Pair