null

SMILES: CN1CCN(CC1)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=KOIRZEHURFRWOY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399375   

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))	BDBM50399375 (CHEMBL2178269) Show SMILES CN1CCN(CC1)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C34H37F3N10O/c1-22-3-4-23(16-31(22)47-21-30(41-43-47)25-15-26-19-39-42-32(26)38-18-25)33(48)40-27-6-5-24(29(17-27)34(35,36)37)20-45-9-7-28(8-10-45)46-13-11-44(2)12-14-46/h3-6,15-19,21,28H,7-14,20H2,1-2H3,(H,40,48)(H,38,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	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