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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM50539701'   
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


(Escherichia coli (Enterobacteria))		BDBM50539701
PNG
(CHEMBL4640728)
Show SMILES OC\C=C\c1ccc2O[C@H](CO)[C@H](Oc2c1)c1ccc2O[C@@H](CO)[C@@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C27H26O9/c28-9-1-2-15-3-7-20-22(10-15)35-27(25(14-30)33-20)17-5-8-21-23(12-17)36-26(24(13-29)34-21)16-4-6-18(31)19(32)11-16/h1-8,10-12,24-32H,9,13-14H2/b2-1+/t24-,25+,26-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.91E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-glucuronidase using 4-methylumbelliferyl-beta-D-glucuronide hydrate as substrate preincubated for 5 mins followed...

J Nat Prod 83: 825-833 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00279
BindingDB Entry DOI: 10.7270/Q2RJ4P0R
More data for this
Ligand-Target Pair