BDBM36479 MAG-3

SMILES: CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1

InChI Key: InChIKey=OJWYIOQBULJUJV-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 = 36479   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM36479 (MAG-3) Show SMILES CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1 Show InChI InChI=1S/C27H26ClNO8/c1-27(2,3)37-26(33)29-12-11-23(30)35-21-10-7-15(13-20(21)28)24(31)34-16-8-9-18-17-5-4-6-19(17)25(32)36-22(18)14-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Momoamine oxidase type B(MAO-B) activity in vitro assay using molecules that caused a photomotor response (PMR) "magnitude stimulant' (MAG) pheno...				Nat Chem Biol 6: 231-237 (2010) Article DOI: 10.1038/nchembio.307 BindingDB Entry DOI: 10.7270/Q2GX48X6
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