BDBM50025728 CHEMBL3330873

SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CCOCC2)ncc1Cl

InChI Key: InChIKey=PBQNEVJTEAGZIZ-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 = 50025728   

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))	BDBM50025728 (CHEMBL3330873) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C21H23ClN6O4S2/c1-13(2)34(30,31)17-6-4-3-5-15(17)24-18-14(22)11-23-20(26-18)27-21-25-16(12-33-21)19(29)28-7-9-32-10-8-28/h3-6,11-13H,7-10H2,1-2H3,(H2,23,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay				Eur J Med Chem 86: 438-48 (2014) Article DOI: 10.1016/j.ejmech.2014.09.003 BindingDB Entry DOI: 10.7270/Q2G73GBS
					More data for this Ligand-Target Pair