null
SMILES: COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CC(C)Oc3ccccc3S2(=O)=O)c1
InChI Key: InChIKey=ZDNGJXBUEQNFBQ-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human)) | BDBM304721![]() (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | US Patent | n/a | n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent | Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen... | US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human)) | BDBM304721![]() (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Activation of Nrf2 in human BEAS2B cells assessed as increase in NQO1 enzymatic activity measured after 48 hrs by MTT assay | J Med Chem 62: 4683-4702 (2019) Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM304721![]() (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in... | J Med Chem 62: 4683-4702 (2019) Article DOI: 10.1021/acs.jmedchem.9b00279 BindingDB Entry DOI: 10.7270/Q2PK0KKB | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Kelch-like ECH-associated protein 1 [321-609] (Homo sapiens (Human)) | BDBM304721![]() (3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd US Patent | Assay Description 100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we... | US Patent US10144731 (2018) BindingDB Entry DOI: 10.7270/Q25X2C17 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |