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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50541033'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-glucuronidase


(Rattus norvegicus)
BDBM50541033
PNG
(Gemichalcone A)
Show SMILES COc1cc(\C=C\C(=O)OC\C(C)=C/Cc2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3)c2O)ccc1O
Show InChI InChI=1S/C30H28O8/c1-19(18-38-29(35)16-8-21-7-14-27(34)28(17-21)37-2)3-11-23-26(33)15-12-24(30(23)36)25(32)13-6-20-4-9-22(31)10-5-20/h3-10,12-17,31,33-34,36H,11,18H2,1-2H3/b13-6+,16-8+,19-3-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of degranulated rat neutrophils beta-glucuronidase


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111921
BindingDB Entry DOI: 10.7270/Q29W0K1V
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Rattus norvegicus)
BDBM50541033
PNG
(Gemichalcone A)
Show SMILES COc1cc(\C=C\C(=O)OC\C(C)=C/Cc2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3)c2O)ccc1O
Show InChI InChI=1S/C30H28O8/c1-19(18-38-29(35)16-8-21-7-14-27(34)28(17-21)37-2)3-11-23-26(33)15-12-24(30(23)36)25(32)13-6-20-4-9-22(31)10-5-20/h3-10,12-17,31,33-34,36H,11,18H2,1-2H3/b13-6+,16-8+,19-3-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of degranulated rat peritoneal mast cells beta-glucuronidase


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111921
BindingDB Entry DOI: 10.7270/Q29W0K1V
More data for this
Ligand-Target Pair