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SMILES: CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1

InChI Key: InChIKey=VMOAEQWYVOQCMP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 440662   
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
Ataxin-2


(Homo sapiens (Human))		BDBM440662
PNG
(US10633384, Example 2.1)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C24H24ClN3O7S/c1-36(32,33)18-9-15(8-17(25)11-18)12-34-23(31)27-6-4-24(5-7-27)13-28(14-24)21(29)16-2-3-19-20(10-16)35-22(30)26-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,26,30)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...

US Patent US10633384 (2020)


BindingDB Entry DOI: 10.7270/Q2K077BX
More data for this
Ligand-Target Pair