BDBM35539 symmetric dicoumarol analogue, 15
SMILES: CCCC(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
InChI Key: InChIKey=WDMKQGDXHVGITQ-UHFFFAOYSA-N
Data: 3 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)) | BDBM35539![]() (symmetric dicoumarol analogue, 15) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.32E+3 | 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 | |||||||||||||
Urease (Canavalia ensiformis (Jack bean) (Horse bean)) | BDBM35539![]() (symmetric dicoumarol analogue, 15) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Karachi Curated by ChEMBL | Assay Description Inhibition of jack bean urease | Bioorg Med Chem 16: 3456-61 (2008) Article DOI: 10.1016/j.bmc.2005.09.048 BindingDB Entry DOI: 10.7270/Q2474C5K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human)) | BDBM35539![]() (symmetric dicoumarol analogue, 15) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 588 | 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 |