Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.5 BDBM50499124

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))	BDBM50499124 (CHEMBL3735859) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(c1)C1CCOC1 Show InChI InChI=1S/C28H26N4O2/c1-4-17-10-22-23(11-21(17)18-13-30-32(14-18)19-7-8-34-15-19)28(2,3)27-25(26(22)33)20-6-5-16(12-29)9-24(20)31-27/h5-6,9-11,13-14,19,31H,4,7-8,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015) Article DOI: 10.1016/j.ejmech.2015.10.005 BindingDB Entry DOI: 10.7270/Q2BV7KM3
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