Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.4 BDBM50439165

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50439165 (CHEMBL2418758) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)[N+]([O-])=O)c3)c2c1 Show InChI InChI=1S/C21H17N7O2/c1-26-12-16(8-24-26)15-6-19-20(10-23-21(19)22-7-15)17-9-25-27(13-17)11-14-3-2-4-18(5-14)28(29)30/h2-10,12-13H,11H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 4911-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.071 BindingDB Entry DOI: 10.7270/Q2BK1DS7
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