BDBM50436572 CHEMBL2397816

SMILES: FC(F)(F)c1cc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc(c1)C(F)(F)F

InChI Key: InChIKey=CMBWCUKJTFCGST-UHFFFAOYSA-N

Data: 1 KI

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 = 50436572   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50436572 (CHEMBL2397816) Show SMILES FC(F)(F)c1cc(CNc2ncnc3n(CC(Cl)c4ccc(Br)cc4)ncc23)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H15BrClF6N5/c23-16-3-1-13(2-4-16)18(24)10-35-20-17(9-34-35)19(32-11-33-20)31-8-12-5-14(21(25,26)27)7-15(6-12)22(28,29)30/h1-7,9,11,18H,8,10H2,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to recombinant wild type human Abl using abitide as substrate				J Med Chem 56: 5382-94 (2014) Article DOI: 10.1021/jm400233w BindingDB Entry DOI: 10.7270/Q29G5P63
					More data for this Ligand-Target Pair