BDBM50448070 CHEMBL3120624

SMILES: CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12

InChI Key: InChIKey=BGVIFZCMSUQDTG-HOFJSUAUSA-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 = 50448070   

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))	BDBM50448070 (CHEMBL3120624) Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 |r,t:22,30| Show InChI InChI=1S/C26H42O6/c1-7-16(2)10-17(3)12-26(31,15-28)24(30)32-23-9-8-19(5)25(6)13-20(18(4)14-27)22(29)11-21(23)25/h11,13,16-19,23,27-28,31H,7-10,12,14-15H2,1-6H3/t16?,17?,18-,19-,23+,25+,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual Paulista Curated by ChEMBL					Assay Description Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophot...				J Nat Prod 77: 668-72 (2014) Article DOI: 10.1021/np400825s BindingDB Entry DOI: 10.7270/Q24X598C
					More data for this Ligand-Target Pair