BDBM50025775 CHEMBL3330854

SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C(=O)CO)ncc1Cl

InChI Key: InChIKey=NWGMBYQDXGHADH-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 = 50025775   

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))	BDBM50025775 (CHEMBL3330854) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C(=O)CO)ncc1Cl Show InChI InChI=1S/C22H25ClN6O4S2/c1-13(2)35(32,33)18-6-4-3-5-16(18)25-20-14(23)11-24-21(27-20)28-22-26-15-7-9-29(19(31)12-30)10-8-17(15)34-22/h3-6,11,13,30H,7-10,12H2,1-2H3,(H2,24,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	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