BDBM50345585 CHEMBL1784636::N-(2-hydroxyethyl)-1-methyl-5-((2-methyl-5-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)phenyl)ethynyl)-1H-imidazole-2-carboxamide

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(C(=O)NCCO)n3C)cc2C(F)(F)F)CC1

InChI Key: InChIKey=XRDYVAXJJGPOKY-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 = 50345585   

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))	BDBM50345585 (CHEMBL1784636 | N-(2-hydroxyethyl)-1-methyl-5-((2-...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(C(=O)NCCO)n3C)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27(38(25)3)29(42)34-10-15-40)28(41)36-24-8-6-23(26(17-24)30(31,32)33)19-39-13-11-37(2)12-14-39/h4-6,8,16-18,40H,10-15,19H2,1-3H3,(H,34,42)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	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