BDBM50105857 CHEMBL3597607

SMILES: Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(cn1)-c1cccnc1

InChI Key: InChIKey=DSTHNGDWKODQRN-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 = 50105857   

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))	BDBM50105857 (CHEMBL3597607) Show SMILES Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(cn1)-c1cccnc1 Show InChI InChI=1S/C22H17FN4O/c1-15-4-9-20(26-22(28)16-5-7-19(23)8-6-16)11-21(15)27-14-18(13-25-27)17-3-2-10-24-12-17/h2-14H,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 23: 3147-52 (2015) BindingDB Entry DOI: 10.7270/Q2JS9S64
					More data for this Ligand-Target Pair