BDBM50300758 3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide::CHEMBL574360

SMILES: Cc1c(no[n+]1[O-])-c1ccccc1

InChI Key: InChIKey=KCAHXIURYHAUTE-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 50300758   

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
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50300758 (3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...) Show SMILES Cc1c(no[n+]1[O-])-c1ccccc1 Show InChI InChI=1S/C9H8N2O2/c1-7-9(10-13-11(7)12)8-5-3-2-4-6-8/h2-6H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of rat recombinant TrxR1 after 10 mins				J Med Chem 52: 6474-83 (2009) Article DOI: 10.1021/jm901021k BindingDB Entry DOI: 10.7270/Q2TH8MS1
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50300758 (3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...) Show SMILES Cc1c(no[n+]1[O-])-c1ccccc1 Show InChI InChI=1S/C9H8N2O2/c1-7-9(10-13-11(7)12)8-5-3-2-4-6-8/h2-6H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universita degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay				J Med Chem 53: 5467-75 (2010) Article DOI: 10.1021/jm100066y BindingDB Entry DOI: 10.7270/Q2JH3MC8
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50300758 (3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...) Show SMILES Cc1c(no[n+]1[O-])-c1ccccc1 Show InChI InChI=1S/C9H8N2O2/c1-7-9(10-13-11(7)12)8-5-3-2-4-6-8/h2-6H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universita degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay				J Med Chem 53: 5467-75 (2010) Article DOI: 10.1021/jm100066y BindingDB Entry DOI: 10.7270/Q2JH3MC8
					More data for this Ligand-Target Pair
Glutathione reductase (GR) (Homo sapiens (Human))	BDBM50300758 (3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...) Show SMILES Cc1c(no[n+]1[O-])-c1ccccc1 Show InChI InChI=1S/C9H8N2O2/c1-7-9(10-13-11(7)12)8-5-3-2-4-6-8/h2-6H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant GR after 15 mins in presence of NADPH				J Med Chem 52: 6474-83 (2009) Article DOI: 10.1021/jm901021k BindingDB Entry DOI: 10.7270/Q2TH8MS1
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50300758 (3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide | CHEMB...) Show SMILES Cc1c(no[n+]1[O-])-c1ccccc1 Show InChI InChI=1S/C9H8N2O2/c1-7-9(10-13-11(7)12)8-5-3-2-4-6-8/h2-6H,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 52: 6474-83 (2009) Article DOI: 10.1021/jm901021k BindingDB Entry DOI: 10.7270/Q2TH8MS1
					More data for this Ligand-Target Pair