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SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)CCc1ccc(OC(F)(F)F)cc1F

InChI Key: InChIKey=MRXFENNJFHPMOW-CALCHBBNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 481930   
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-1


(Homo sapiens (Human))		BDBM481930
PNG
(US10913745, Example 8.07)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)CCc1ccc(OC(F)(F)F)cc1F |r|
Show InChI InChI=1S/C23H23F4N3O5S/c24-20-9-18(35-23(25,26)27)5-1-14(20)4-8-21(31)29-10-16-12-30(13-17(16)11-29)22(32)15-2-6-19(7-3-15)36(28,33)34/h1-3,5-7,9,16-17H,4,8,10-13H2,(H2,28,33,34)/t16-,17+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock so...

US Patent US10913745 (2021)

More data for this
Ligand-Target Pair