Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 523.0 BDBM50347074

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))	BDBM50347074 (CHEMBL1796261) Show SMILES COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@H](C4)NS(C)(=O)=O)n3)cc2CC1 |r| Show InChI InChI=1S/C24H35ClN6O3S/c1-34-13-12-31-10-8-17-6-7-20(14-18(17)9-11-31)28-24-26-16-22(25)23(29-24)27-19-4-3-5-21(15-19)30-35(2,32)33/h6-7,14,16,19,21,30H,3-5,8-13,15H2,1-2H3,(H2,26,27,28,29)/t19-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 3877-80 (2011) Article DOI: 10.1016/j.bmcl.2011.05.040 BindingDB Entry DOI: 10.7270/Q2F76CX0
					More data for this Ligand-Target Pair