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BDBM50101979 2,6-Dihydroxyanthraquinone::2,6-dihydroxy-9,10-anthracenedione::2,6-dihydroxy-9,10-anthraquinone::2,6-dihydroxyanthra-9,10-quinone::2,6-dihydroxyanthracene-9,10-dione::Az-F::CHEMBL298398::anthraflavic acid::anthraflavin

SMILES: Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1

InChI Key: InChIKey=APAJFZPFBHMFQR-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50101979   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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PubMed
310n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
690n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
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PC sid
UniChem

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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
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PC sid
UniChem

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PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair