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SMILES: Nc1cc(Cc2ccc3OCOc3c2)c2nn[nH]c2n1

InChI Key: InChIKey=PBHMBPQTHNZYJR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 357648   
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))		BDBM357648
PNG
(7- (benzo[d][1,3] dioxol-5- ylmethyl)-3H- [1,2,3]t...)
Show SMILES Nc1cc(Cc2ccc3OCOc3c2)c2nn[nH]c2n1
Show InChI InChI=1S/C13H11N5O2/c14-11-5-8(12-13(15-11)17-18-16-12)3-7-1-2-9-10(4-7)20-6-19-9/h1-2,4-5H,3,6H2,(H3,14,15,16,17,18)
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KEGG

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US Patent
n/an/a 500n/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