BDBM50345592 5-((2-methyl-5-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)phenyl)ethynyl)picolinamide::CHEMBL1784629

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

InChI Key: InChIKey=WFTHXNNAGZEORJ-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 = 50345592   

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))	BDBM50345592 (5-((2-methyl-5-(4-((4-methylpiperazin-1-yl)methyl)...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(nc3)C(N)=O)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-19-3-6-22(15-21(19)7-4-20-5-10-26(27(33)38)34-17-20)28(39)35-24-9-8-23(25(16-24)29(30,31)32)18-37-13-11-36(2)12-14-37/h3,5-6,8-10,15-17H,11-14,18H2,1-2H3,(H2,33,38)(H,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	49	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
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