BDBM50029834 5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3,4]oxadiazol-2-one::CHEMBL16781

SMILES: OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=NWQRLSJFUHYIFW-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 10 hits for monomerid = 50029834   

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))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	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
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))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40	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 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 (Rattus norvegicus (rat))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+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 (Rattus norvegicus (rat))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.70	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))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	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
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 (Rattus norvegicus (rat))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+5	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))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	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))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.70	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))	BDBM50029834 (5-(4-Benzyloxy-phenyl)-3-(2-hydroxy-ethyl)-3H-[1,3...) Show SMILES OCCn1nc(oc1=O)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-11-10-19-17(21)23-16(18-19)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	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