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SMILES: COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)-n3ccnc3C)nc12)C(N)=O

InChI Key: InChIKey=GIPIAGYZUQYSGK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 175254   

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 [L1196M] (Homo sapiens (Human))	BDBM175254 (US9115140, I-132) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)-n3ccnc3C)nc12)C(N)=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,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;7.91,-9.43,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C27H27N7O3S/c1-14(2)37-20-12-19(34-10-9-29-16(34)4)15(3)11-18(20)32-27-31-13-21-23(33-27)22(24(38-21)25(28)35)17-7-6-8-30-26(17)36-5/h6-14H,1-5H3,(H2,28,35)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175254 (US9115140, I-132) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)-n3ccnc3C)nc12)C(N)=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,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;7.91,-9.43,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C27H27N7O3S/c1-14(2)37-20-12-19(34-10-9-29-16(34)4)15(3)11-18(20)32-27-31-13-21-23(33-27)22(24(38-21)25(28)35)17-7-6-8-30-26(17)36-5/h6-14H,1-5H3,(H2,28,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	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