BDBM50249069 1,3,5-trihydroxybenzene::CHEMBL473159::benzene-1,3,5-triol::phloroglucinol

SMILES: Oc1cc(O)cc(O)c1

InChI Key: InChIKey=QCDYQQDYXPDABM-UHFFFAOYSA-N

Data: 2 IC50  1 ITC

PDB links: 4 PDB IDs match 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 2 hits for monomerid = 50249069   

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
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50249069 (1,3,5-trihydroxybenzene | CHEMBL473159 | benzene-1...) Show SMILES Oc1cc(O)cc(O)c1 Show InChI InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli BL21 (DE3) u...				Bioorg Med Chem 21: 3730-7 (2013) Article DOI: 10.1016/j.bmc.2013.04.026 BindingDB Entry DOI: 10.7270/Q24J0J2W
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50249069 (1,3,5-trihydroxybenzene | CHEMBL473159 | benzene-1...) Show SMILES Oc1cc(O)cc(O)c1 Show InChI InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pukyong National University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 after 60 mins by FRET assay				Bioorg Med Chem Lett 20: 3211-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.093 BindingDB Entry DOI: 10.7270/Q25B02NZ
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50249069

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
BDBM36284	BDBM50249069	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-3.50	n/a	n/a	2.57	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)