BDBM50322548 CHEMBL1169705::N-{4-[(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-3-(trifluoromethyl)-phenyl}-3-[2-(imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylbenzamide

SMILES: CN1CCCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=PTHOPDLXQDYKMY-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 = 50322548   

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))	BDBM50322548 (CHEMBL1169705 | N-{4-[(Hexahydro-4-methyl-1H-1,4-d...) Show SMILES CN1CCCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H30F3N5O/c1-22-7-8-24(18-23(22)10-12-27-20-35-29-6-3-4-15-39(27)29)30(40)36-26-11-9-25(28(19-26)31(32,33)34)21-38-14-5-13-37(2)16-17-38/h3-4,6-9,11,15,18-20H,5,13-14,16-17,21H2,1-2H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	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 after 1 hr by TR-FRET assay				J Med Chem 53: 4701-19 (2010) Article DOI: 10.1021/jm100395q BindingDB Entry DOI: 10.7270/Q27P8ZKX
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