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BDBM50292546 3,4,5,6-tetrahydroxyxanthone::CHEMBL477921::US9114126, MB7

SMILES: Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O

InChI Key: InChIKey=MUWSBAZQOGXKJK-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50292546   
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
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
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Article
PubMed
1.26E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE by Lineweaver-Burk plot


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
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US Patent
n/an/a 5.00E+3n/an/an/an/a7.437



THE UNIVERSITY OF TOLEDO

US Patent


Assay Description
The purified Na/K-ATPase was prepared from pig kidney. The specific activities of Na/K-ATPase of various kidney preparations were in the range of 900...


US Patent US9114126 (2015)


BindingDB Entry DOI: 10.7270/Q2Z31XFQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50292546
PNG
(3,4,5,6-tetrahydroxyxanthone | CHEMBL477921 | US91...)
Show SMILES Oc1ccc2c(oc3c(O)c(O)ccc3c2=O)c1O
Show InChI InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.39E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ACE


J Nat Prod 55: 691-695 (1992)


Article DOI: 10.1021/np50083a025
BindingDB Entry DOI: 10.7270/Q21C1WXZ
More data for this
Ligand-Target Pair