BDBM11316 1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione::1,8-dihydroxy-anthraquinone::Anthraquinone-related compound::CHEMBL53418

SMILES: Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12

InChI Key: InChIKey=QBPFLULOKWLNNW-UHFFFAOYSA-N

Data: 1 KI  4 IC50

PDB links: 1 PDB ID matches this monomer. 62 PDB IDs contain this monomer as substructures. 62 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 5 hits for monomerid = 11316   

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
Casein Kinase II (Zea mays (Maize))	BDBM11316 (1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...) Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>4.00E+4	>-5.94	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Padova					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...				J Biol Chem 278: 1831-6 (2003) Article DOI: 10.1074/jbc.M209367200 BindingDB Entry DOI: 10.7270/Q2GH9G5K
					More data for this Ligand-Target Pair				3D Structure (docked)
Thioredoxin reductase 2, mitochondrial (Rattus norvegicus)	BDBM11316 (1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...) Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
University of Padova Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM11316 (1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...) Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
University of Padova Curated by ChEMBL					Assay Description Inhibition of rat liver cytosolic TrxR1 by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM11316 (1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...) Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description 5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)				J Med Chem 40: 3773-80 (1997) Article DOI: 10.1021/jm970292n BindingDB Entry DOI: 10.7270/Q20R9NJN
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM11316 (1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione | ...) Show SMILES Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay				Bioorg Med Chem 18: 1633-40 (2010) Article DOI: 10.1016/j.bmc.2009.12.062 BindingDB Entry DOI: 10.7270/Q26110F1
					More data for this Ligand-Target Pair