BDBM50085551 1,8-Dihydroxy-3-hydroxymethyl-anthraquinone::1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione::CHEMBL40275::aloe emodin::aloe-emodin::cid_10207

SMILES: OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

InChI Key: InChIKey=YDQWDHRMZQUTBA-UHFFFAOYSA-N

Data: 2 KI  10 IC50

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 12 hits for monomerid = 50085551   

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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB0413 from human platelet P2Y12 receptor				J Med Chem 52: 3784-93 (2009) Article DOI: 10.1021/jm9003297 BindingDB Entry DOI: 10.7270/Q2NK3FZF
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Non-competitive inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mi...				Bioorg Med Chem 23: 6659-65 (2015) BindingDB Entry DOI: 10.7270/Q22F7Q8N
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2H130G1
					More data for this Ligand-Target Pair
Alpi (Rattus norvegicus (Rat))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DB809V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by Ellman's method				Bioorg Med Chem Lett 24: 5385-9 (2015) Article DOI: 10.1016/j.bmcl.2014.10.049 BindingDB Entry DOI: 10.7270/Q2028T5H
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+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 recombinant SARS coronavirus 3C-like protease trans-cleavage activity by ELISA				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
Aldehyde dehydrogenase, cytosolic 1 (Rattus norvegicus)	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase				J Nat Prod 60: 1180-1182 (1997) Article DOI: 10.1021/np9703104 BindingDB Entry DOI: 10.7270/Q2DR2VHR
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+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
Thioredoxin reductase 2, mitochondrial (Rattus norvegicus)	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid 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
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NS0SCW
					More data for this Ligand-Target Pair
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2X63KDM
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50085551 (1,8-Dihydroxy-3-hydroxymethyl-anthraquinone | 1,8-...) Show SMILES OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 Show InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence ...				Bioorg Med Chem 23: 6659-65 (2015) BindingDB Entry DOI: 10.7270/Q22F7Q8N
					More data for this Ligand-Target Pair