BDBM50436578 CHEMBL2397808

SMILES: ClC(Cn1ncc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12)c1ccc(Br)cc1

InChI Key: InChIKey=RTPCKRIWAHHMNW-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 = 50436578   

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))	BDBM50436578 (CHEMBL2397808) Show SMILES ClC(Cn1ncc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12)c1ccc(Br)cc1 Show InChI InChI=1S/C20H15BrCl3N5/c21-14-4-2-13(3-5-14)18(24)10-29-20-15(9-28-29)19(26-11-27-20)25-8-12-1-6-16(22)17(23)7-12/h1-7,9,11,18H,8,10H2,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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