Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 621.6 BDBM50519603

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))	BDBM50519603 (CHEMBL4537938) Show SMILES CN1CCC(CC1)Nc1ccc(-c2cc3c(ncnc3[nH]2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)c(C)c1 |r| Show InChI InChI=1S/C33H38F3N7O2/c1-21-15-25(40-24-10-13-42(2)14-11-24)8-9-27(21)29-17-28-30(41-29)38-20-39-31(28)43-12-4-6-23(19-43)32(44)37-18-22-5-3-7-26(16-22)45-33(34,35)36/h3,5,7-9,15-17,20,23-24,40H,4,6,10-14,18-19H2,1-2H3,(H,37,44)(H,38,39,41)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) by TR-FRET assay				J Med Chem 62: 10927-10954 (2019) Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV
					More data for this Ligand-Target Pair