BDBM50119588 CHEMBL3618124

SMILES: COc1ccc(Nc2cc(ncn2)-c2ccc(cc2)C(=O)NCCNC(=O)c2cccc(F)c2)cc1

InChI Key: InChIKey=XYEGWNCZIAIZNI-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 = 50119588   

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))	BDBM50119588 (CHEMBL3618124) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccc(cc2)C(=O)NCCNC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C27H24FN5O3/c1-36-23-11-9-22(10-12-23)33-25-16-24(31-17-32-25)18-5-7-19(8-6-18)26(34)29-13-14-30-27(35)20-3-2-4-21(28)15-20/h2-12,15-17H,13-14H2,1H3,(H,29,34)(H,30,35)(H,31,32,33)	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	1.13E+4	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 (unknown origin) after 1 hr by luminescence assay				Bioorg Med Chem Lett 25: 4164-8 (2015) BindingDB Entry DOI: 10.7270/Q20P11T2
					More data for this Ligand-Target Pair