BDBM50047026 3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-2-thioxo-[1,3,4]oxadiazol-3-yl}-propionitrile::CHEMBL16956

SMILES: Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1

InChI Key: InChIKey=RQTVHEIGLZYRSH-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 = 50047026   

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 (Rattus norvegicus (rat))	BDBM50047026 (3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-2-thioxo-[1,3...) Show SMILES Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1 Show InChI InChI=1S/C18H14ClN3O2S/c19-15-4-1-3-13(11-15)12-23-16-7-5-14(6-8-16)17-21-22(10-2-9-20)18(25)24-17/h1,3-8,11H,2,10,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A)				J Med Chem 36: 1157-67 (1993) BindingDB Entry DOI: 10.7270/Q2765FZP
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50047026 (3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-2-thioxo-[1,3...) Show SMILES Clc1cccc(COc2ccc(cc2)-c2nn(CCC#N)c(=S)o2)c1 Show InChI InChI=1S/C18H14ClN3O2S/c19-15-4-1-3-13(11-15)12-23-16-7-5-14(6-8-16)17-21-22(10-2-9-20)18(25)24-17/h1,3-8,11H,2,10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description In vitro inhibitory activity on rat brain MAO-B.				J Med Chem 36: 1157-67 (1993) BindingDB Entry DOI: 10.7270/Q2765FZP
					More data for this Ligand-Target Pair