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SMILES: Nc1cc(Cc2cccc3n(Cc4cccc(F)c4)ccc23)c2nn[nH]c2n1

InChI Key: InChIKey=LMCJDSIFBZUBJK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 357692   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Myeloperoxidase (Homo sapiens (Human))	BDBM357692 (US10214527, Example 64) Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(F)c4)ccc23)c2nn[nH]c2n1 Show InChI InChI=1S/C21H17FN6/c22-16-5-1-3-13(9-16)12-28-8-7-17-14(4-2-6-18(17)28)10-15-11-19(23)24-21-20(15)25-27-26-21/h1-9,11H,10,12H2,(H3,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/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
Myeloperoxidase (Homo sapiens (Human))	BDBM357692 (US10214527, Example 64) Show SMILES Nc1cc(Cc2cccc3n(Cc4cccc(F)c4)ccc23)c2nn[nH]c2n1 Show InChI InChI=1S/C21H17FN6/c22-16-5-1-3-13(9-16)12-28-8-7-17-14(4-2-6-18(17)28)10-15-11-19(23)24-21-20(15)25-27-26-21/h1-9,11H,10,12H2,(H3,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catal...				US Patent US10214527 (2019) BindingDB Entry DOI: 10.7270/Q2DR2XRQ
					More data for this Ligand-Target Pair