BDBM50399365 CHEMBL2178279

SMILES: CCc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F

InChI Key: InChIKey=NUTAFQYFQXUSOF-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 = 50399365   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50399365 (CHEMBL2178279) Show SMILES CCc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C30H30F3N9O/c1-3-19-4-5-20(13-27(19)42-18-26(37-39-42)22-12-23-16-35-38-28(23)34-15-22)29(43)36-24-7-6-21(25(14-24)30(31,32)33)17-41-10-8-40(2)9-11-41/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,36,43)(H,34,35,38)	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	0.980	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