BDBM50190691 CHEMBL3935473

SMILES: FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1

InChI Key: InChIKey=UPZUOJCELONEIR-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 = 50190691   

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))	BDBM50190691 (CHEMBL3935473) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H21BrF3N5O3S/c20-16-13-24-18(27-9-11-31-12-10-27)25-17(16)26-5-7-28(8-6-26)32(29,30)15-3-1-14(2-4-15)19(21,22)23/h1-4,13H,5-12H2	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	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Rallis India Limited Curated by ChEMBL					Assay Description Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay				Eur J Med Chem 119: 70-82 (2016) BindingDB Entry DOI: 10.7270/Q2445PDS
					More data for this Ligand-Target Pair