BDBM50399374 CHEMBL2178270

SMILES: CN(C)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=IGTIROPAMADUPR-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 = 50399374   

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
Bcr-Abl (Homo sapiens (Human))	BDBM50399374 (CHEMBL2178270) Show SMILES CN(C)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H32F3N9O/c1-19-4-5-20(13-28(19)43-18-27(38-40-43)22-12-23-16-36-39-29(23)35-15-22)30(44)37-24-7-6-21(26(14-24)31(32,33)34)17-42-10-8-25(9-11-42)41(2)3/h4-7,12-16,18,25H,8-11,17H2,1-3H3,(H,37,44)(H,35,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay				J Med Chem 55: 10033-46 (2012) Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23
					More data for this Ligand-Target Pair