BDBM35529 symmetric dicoumarol analogue, 5
SMILES: COc1ccc2c(O)c(Cc3c(O)c4ccc(OC)cc4oc3=O)c(=O)oc2c1
InChI Key: InChIKey=SLXBPCDYEKFISP-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human)) | BDBM35529 (symmetric dicoumarol analogue, 5) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Manchester | Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa... | J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human)) | BDBM35529 (symmetric dicoumarol analogue, 5) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 790 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Manchester | Assay Description Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution wa... | J Med Chem 52: 7142-56 (2009) Article DOI: 10.1021/jm9011609 BindingDB Entry DOI: 10.7270/Q2222S40 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |