BDBM413387 US10407422, Example 130

SMILES: Nc1cc(Cc2cnn(Cc3ccc4CNCCc4c3)c2)c2nn[nH]c2n1

InChI Key: InChIKey=QALYNGDUFROUBQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 413387   

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))	BDBM413387 (US10407422, Example 130) Show SMILES Nc1cc(Cc2cnn(Cc3ccc4CNCCc4c3)c2)c2nn[nH]c2n1 Show InChI InChI=1S/C19H20N8/c20-17-7-16(18-19(23-17)25-26-24-18)6-13-8-22-27(11-13)10-12-1-2-15-9-21-4-3-14(15)5-12/h1-2,5,7-8,11,21H,3-4,6,9-10H2,(H3,20,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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