BDBM50433231 CHEMBL2375891

SMILES: COc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Br)cc1

InChI Key: InChIKey=KWLXWXYINQHVEA-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 = 50433231   

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))	BDBM50433231 (CHEMBL2375891) Show SMILES COc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C23H18BrN5O2/c1-31-21-9-4-15(22(30)27-18-7-5-17(24)6-8-18)13-20(21)29-23-26-12-10-19(28-23)16-3-2-11-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29)	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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay				Bioorg Med Chem 21: 2527-34 (2013) Article DOI: 10.1016/j.bmc.2013.02.036 BindingDB Entry DOI: 10.7270/Q2VH5Q6T
					More data for this Ligand-Target Pair