null

SMILES: CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1

InChI Key: InChIKey=AJFZJAOHDZVTMM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 175249   

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))	BDBM175249 (US9115140, I-115) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1 |(6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;7.87,-4.38,;6.53,-5.15,;6.53,-6.69,;5.2,-7.46,;3.86,-6.69,;3.86,-5.15,;5.2,-4.38,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;.16,-5.26,;-.74,-6.51,;-2.21,-6.03,;-2.21,-4.49,;-3.45,-3.58,;1.2,-2.07,;2.53,-2.84,;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,)| Show InChI InChI=1S/C27H31N5O3S/c1-15(2)35-21-13-18(17-7-10-32(4)11-8-17)5-6-20(21)30-27-29-14-22-24(31-27)23(25(36-22)26(28)33)19-9-12-34-16(19)3/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H2,28,33)(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175249 (US9115140, I-115) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1 |(6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;7.87,-4.38,;6.53,-5.15,;6.53,-6.69,;5.2,-7.46,;3.86,-6.69,;3.86,-5.15,;5.2,-4.38,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;.16,-5.26,;-.74,-6.51,;-2.21,-6.03,;-2.21,-4.49,;-3.45,-3.58,;1.2,-2.07,;2.53,-2.84,;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,)| Show InChI InChI=1S/C27H31N5O3S/c1-15(2)35-21-13-18(17-7-10-32(4)11-8-17)5-6-20(21)30-27-29-14-22-24(31-27)23(25(36-22)26(28)33)19-9-12-34-16(19)3/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H2,28,33)(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	13	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