BDBM23449 1,3-Dihydroxynaphthalene::Naphthalene-1,3-diol::Naphthoresorcinol
SMILES: Oc1cc(O)c2ccccc2c1
InChI Key: InChIKey=XOOMNEFVDUTJPP-UHFFFAOYSA-N
PDB links: 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM23449 (1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL | Assay Description Inhibition of human recombinant NQO2 | Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16 | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Transcriptional Regulator TtgR (Pseudomonas putida) | BDBM23449 (1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...) | GoogleScholar PDB | PC cid PC sid | -5.84 | 13.5 | -19.3 | 4.22 | 7 | 30 | |
Estacion Experimental del Zaidin | J Biol Chem 281: 7102-9 (2006) |