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SMILES: Nc1cc(Cc2cccc3n(Cc4ccccc4)ccc23)c2nn[nH]c2n1

InChI Key: InChIKey=LXGUEJCMMHPFID-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 357687   
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
Myeloperoxidase


(Homo sapiens (Human))		BDBM357687
PNG
(US10214527, Example 59)
Show SMILES Nc1cc(Cc2cccc3n(Cc4ccccc4)ccc23)c2nn[nH]c2n1
Show InChI InChI=1S/C21H18N6/c22-19-12-16(20-21(23-19)25-26-24-20)11-15-7-4-8-18-17(15)9-10-27(18)13-14-5-2-1-3-6-14/h1-10,12H,11,13H2,(H3,22,23,24,25,26)
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KEGG

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US Patent
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog # A12222) which...

US Patent US10214527 (2019)


BindingDB Entry DOI: 10.7270/Q2DR2XRQ
More data for this
Ligand-Target Pair