BDBM50036514 CHEMBL3353566

SMILES: CNc1ccccc1-c1nc(cs1)C(=O)OC

InChI Key: InChIKey=GADWTAUYJRJWRT-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50036514   

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) A (Homo sapiens (Human))	BDBM50036514 (CHEMBL3353566) Show SMILES CNc1ccccc1-c1nc(cs1)C(=O)OC Show InChI InChI=1S/C12H12N2O2S/c1-13-9-6-4-3-5-8(9)11-14-10(7-17-11)12(15)16-2/h3-7,13H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunchon National University Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-A using varying levels of kynuramine substrate after 5 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 27: 1136-1140 (2017) BindingDB Entry DOI: 10.7270/Q2J67K5K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50036514 (CHEMBL3353566) Show SMILES CNc1ccccc1-c1nc(cs1)C(=O)OC Show InChI InChI=1S/C12H12N2O2S/c1-13-9-6-4-3-5-8(9)11-14-10(7-17-11)12(15)16-2/h3-7,13H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) assessed as inhibition of acetylcholine hydrolysis preincubated for 15 mins by Ellman method				J Nat Prod 77: 2716-9 (2014) Article DOI: 10.1021/np500558b BindingDB Entry DOI: 10.7270/Q2Z32183
					More data for this Ligand-Target Pair