BDBM304755 3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl)-4-methylphenyl)-3-(1-ethyl-4-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid::BDBM304838::BDBM304885::BDBM304886::US10144731, Example 40
SMILES: CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1
InChI Key: InChIKey=FSVDYFNASNQHCE-LETIRJCYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 55 | 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 | |||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 5.50E+3 | 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 | |||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 55 | 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 | |||||||||||||
Keap1 (aa 321-609) (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <10 | 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 | |||||||||||||
Keap1 (aa 321-609) (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | 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 | |||||||||||||
Keap1 (aa 321-609) (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | 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 | |||||||||||||
Keap1 (aa 321-609) (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | 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 | |||||||||||||
Kelch-like ECH-associated protein 1 (Homo sapiens (Human)) | BDBM304755 (3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | n/a | n/a | 55 | 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 |