Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.5 BDBM179126

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))	BDBM179126 (US9126931, 1048) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)COc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1 Show InChI InChI=1S/C29H32N2O6/c1-28(2,3)37-27(34)31-14-12-30(13-15-31)23(32)17-35-18-10-11-19-21(16-18)29(4,5)26-24(25(19)33)20-8-6-7-9-22(20)36-26/h6-11,16H,12-15,17H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...				US Patent US9126931 (2015) BindingDB Entry DOI: 10.7270/Q22J69N8
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