BDBM50332573 5-fluoro-3-((4-methylpiperazin-1-yl)methyl)-1H-indole::CHEMBL1630724

SMILES: CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1

InChI Key: InChIKey=AWTPQMDTRQRTGS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50332573   

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 (MPO) (Homo sapiens (Human))	BDBM50332573 (5-fluoro-3-((4-methylpiperazin-1-yl)methyl)-1H-ind...) Show SMILES CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C14H18FN3/c1-17-4-6-18(7-5-17)10-11-9-16-14-3-2-12(15)8-13(11)14/h2-3,8-9,16H,4-7,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system				J Med Chem 53: 8747-59 (2010) Article DOI: 10.1021/jm1009988 BindingDB Entry DOI: 10.7270/Q24T6JNJ
					More data for this Ligand-Target Pair
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50332573 (5-fluoro-3-((4-methylpiperazin-1-yl)methyl)-1H-ind...) Show SMILES CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1 Show InChI InChI=1S/C14H18FN3/c1-17-4-6-18(7-5-17)10-11-9-16-14-3-2-12(15)8-13(11)14/h2-3,8-9,16H,4-7,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method				J Med Chem 53: 8747-59 (2010) Article DOI: 10.1021/jm1009988 BindingDB Entry DOI: 10.7270/Q24T6JNJ
					More data for this Ligand-Target Pair