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)	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 | ...) 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 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

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 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)