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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-glucuronidase' and Ligand = 'BDBM193733'   
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


(Homo sapiens (Human))
BDBM193733
PNG
(2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(3,4-dich...)
Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C31H23Cl2N5OS/c32-25-14-13-20(15-26(25)33)36-31(40)38-37-30(39)19-11-9-18(10-12-19)29(23-16-34-27-7-3-1-5-21(23)27)24-17-35-28-8-4-2-6-22(24)28/h1-17,29,34-35H,(H,37,39)(H2,36,38,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Universiti Teknologi MARA



Assay Description
β-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometr...


Bioorg Chem 68: 56-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.008
BindingDB Entry DOI: 10.7270/Q2RV0MGS
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Homo sapiens (Human))
BDBM193733
PNG
(2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(3,4-dich...)
Show SMILES Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1Cl
Show InChI InChI=1S/C31H23Cl2N5OS/c32-25-14-13-20(15-26(25)33)36-31(40)38-37-30(39)19-11-9-18(10-12-19)29(23-16-34-27-7-3-1-5-21(23)27)24-17-35-28-8-4-2-6-22(24)28/h1-17,29,34-35H,(H,37,39)(H2,36,38,40)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins


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