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SMILES: COc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1

InChI Key: InChIKey=KITVCXXEZYZYEP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 175244   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM175244
PNG
(US9115140, I-13)
Show SMILES COc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1
Show InChI InChI=1S/C27H29N5O2S/c1-16-13-20(21(34-3)14-19(16)17-9-11-32(2)12-10-17)30-27-29-15-22-24(31-27)23(25(35-22)26(28)33)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3,(H2,28,33)(H,29,30,31)
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Similars
US Patent
n/an/a 14n/an/an/an/an/an/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