BDBM50399368 CHEMBL2178276

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

InChI Key: InChIKey=SRUDWIBMRKZRQG-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 = 50399368   

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))	BDBM50399368 (CHEMBL2178276) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25F4N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37)	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	0.420	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