null

SMILES: COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12)C(C)(C)O

InChI Key: InChIKey=LDEBNXDPZBATHN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 175261   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM175261 (US9115140, I-210) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12)C(C)(C)O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;9.2,-5.15,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-4.25,-1.3,;-2.71,.24,;-2.71,-2.84,)| Show InChI InChI=1S/C28H33N5O3S/c1-28(2,34)26-24(19-8-6-7-9-21(19)35-4)25-23(37-26)17-29-27(31-25)30-20-11-10-18(16-22(20)36-5)33-14-12-32(3)13-15-33/h6-11,16-17,34H,12-15H2,1-5H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair