Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 689.7 BDBM107071

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))	BDBM107071 (US8592432, 56) Show SMILES CC(C)Oc1cc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r| Show InChI InChI=1S/C33H42F3N7O4S/c1-18(2)47-26-16-23(22-11-13-43(14-12-22)17-28(44)33(34,35)36)20(5)15-25(26)38-32-39-30(29-21(6)41-42-31(29)40-32)37-24-9-7-8-10-27(24)48(45,46)19(3)4/h7-10,15-16,18-19,22,28,44H,11-14,17H2,1-6H3,(H3,37,38,39,40,41,42)/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in...				US Patent US8592432 (2013) BindingDB Entry DOI: 10.7270/Q2J67FK9
					More data for this Ligand-Target Pair