BDBM50029825 3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3-yl]-propionitrile::CHEMBL17092

SMILES: O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=RBWUKXWSNXXLOG-UHFFFAOYSA-N

Data: 8 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 12 hits for monomerid = 50029825   

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))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description Compound was evaluated for the time-dependence inhibition of MAO-B at 60 minutes preincubation periods				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))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description Compound was evaluated for the time-dependence inhibition of MAO-B at 30 minutes pre-incubation periods				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))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description Compound was evaluated for the time-dependence inhibition of MAO-A at 60 minutes of preincubated period. values are same with or without pre-incubati...				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))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description Compound was evaluated for the time-dependence inhibition of MAO-B at 0 minute pre-incubation periods				J Med Chem 36: 1157-67 (1993) BindingDB Entry DOI: 10.7270/Q2765FZP
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris 7 Curated by ChEMBL					Assay Description Compound was evaluated for the time-dependence inhibition of MAO-B at 20 minutes pre-incubation periods				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))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Université Paris 7 Curated by ChEMBL					Assay Description Compound was evaluated for the Inhibition of Monoamine oxidase B				J Med Chem 38: 4786-92 (1996) BindingDB Entry DOI: 10.7270/Q2T72GFV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50029825 (3-[5-(4-Benzyloxy-phenyl)-2-oxo-[1,3,4]oxadiazol-3...) Show SMILES O=c1oc(nn1CCC#N)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H15N3O3/c19-11-4-12-21-18(22)24-17(20-21)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Facultés Universitaires Notre-Dame de la Paix Curated by ChEMBL					Assay Description Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.				Bioorg Med Chem Lett 13: 69-73 (2002) BindingDB Entry DOI: 10.7270/Q2WM1CRP
					More data for this Ligand-Target Pair