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SMILES: Nc1cc(Cc2cnn(Cc3ccc4CNCC(F)(F)c4c3)c2)c2nn[nH]c2n1

InChI Key: InChIKey=LMOPUOZPBAZXOU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 413390   
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))		BDBM413390
PNG
(US10407422, Example 260)
Show SMILES Nc1cc(Cc2cnn(Cc3ccc4CNCC(F)(F)c4c3)c2)c2nn[nH]c2n1
Show InChI InChI=1S/C19H18F2N8/c20-19(21)10-23-7-13-2-1-11(4-15(13)19)8-29-9-12(6-24-29)3-14-5-16(22)25-18-17(14)26-28-27-18/h1-2,4-6,9,23H,3,7-8,10H2,(H3,22,25,26,27,28)
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KEGG

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US Patent
n/an/a 114n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassi...

US Patent US10407422 (2019)


BindingDB Entry DOI: 10.7270/Q28G8P24
More data for this
Ligand-Target Pair