BDBM50436575 CHEMBL2397812

SMILES: ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc12)c1ccc(Br)cc1

InChI Key: InChIKey=FRNGTWDSALHYQF-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 = 50436575   

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))	BDBM50436575 (CHEMBL2397812) Show SMILES ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc12)c1ccc(Br)cc1 Show InChI InChI=1S/C20H16Br2ClN5/c21-15-5-1-13(2-6-15)9-24-19-17-10-27-28(20(17)26-12-25-19)11-18(23)14-3-7-16(22)8-4-14/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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