BDBM50025692 CHEMBL3330876

SMILES: [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1

InChI Key: InChIKey=XZYQPHVVZVZMNA-IYBDPMFKSA-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 = 50025692   

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))	BDBM50025692 (CHEMBL3330876) Show SMILES [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1 |r| Show InChI InChI=1S/C24H28ClN7O3S2/c1-14(2)37(34,35)20-7-5-4-6-18(20)27-21-17(25)8-26-23(29-21)30-24-28-19(13-36-24)22(33)32-11-15-9-31(3)10-16(15)12-32/h4-8,13-16H,9-12H2,1-3H3,(H2,26,27,28,29,30)/t15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	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