BDBM50246513 CHEMBL4085274

SMILES: C1CC(CCO1)n1cc(cn1)-c1ccc2c(Nc3ccccc3)ccnc2c1

InChI Key: InChIKey=FQZFQKGFQOQMPX-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 = 50246513   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246513 (CHEMBL4085274) Show SMILES C1CC(CCO1)n1cc(cn1)-c1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C23H22N4O/c1-2-4-19(5-3-1)26-22-8-11-24-23-14-17(6-7-21(22)23)18-15-25-27(16-18)20-9-12-28-13-10-20/h1-8,11,14-16,20H,9-10,12-13H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair