BDBM50366449 CHEMBL1907706

SMILES: COC[C@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(C)=O

InChI Key: InChIKey=HYXLDRSBBJHPBU-LJQANCHMSA-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 = 50366449   

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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50366449 (CHEMBL1907706) Show SMILES COC[C@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(C)=O |r| Show InChI InChI=1S/C22H23F3O6/c1-14(26)20-10-18(29-11-16-5-4-6-17(9-16)22(23,24)25)7-8-21(20)30-13-19(12-28-3)31-15(2)27/h4-10,19H,11-13H2,1-3H3/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monoamine oxidase B (MAO-B).				Bioorg Med Chem Lett 6: 115-120 (1996) Article DOI: 10.1016/0960-894X(95)00561-7 BindingDB Entry DOI: 10.7270/Q2WS8TQ0
					More data for this Ligand-Target Pair