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BDBM23449 1,3-Dihydroxynaphthalene::Naphthalene-1,3-diol::Naphthoresorcinol

SMILES: Oc1cc(O)c2ccccc2c1

InChI Key: InChIKey=XOOMNEFVDUTJPP-UHFFFAOYSA-N

Data: 1 IC50  1 ITC

PDB links: 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23449   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23449
PNG
(1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...)
Show SMILES Oc1cc(O)c2ccccc2c1
Show InChI InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 23449
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Transcriptional Regulator TtgR

(Pseudomonas putida)
BDBM23449
JPEG
(1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...)
GoogleScholar
PDB
PC cid
PC sid
-5.8413.5-19.34.22730



Estacion Experimental del Zaidin





J Biol Chem 281: 7102-9 (2006)