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BDBM193719 2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(2-fluorophenyl)hydrazinecarbothioamide (2)

SMILES: Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

InChI Key: InChIKey=RATHBSGZCUJXBA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 193719   
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
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM193719
PNG
(2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(2-fluoro...)
Show SMILES Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C31H24FN5OS/c32-25-9-3-6-12-28(25)35-31(39)37-36-30(38)20-15-13-19(14-16-20)29(23-17-33-26-10-4-1-7-21(23)26)24-18-34-27-11-5-2-8-22(24)27/h1-18,29,33-34H,(H,36,38)(H2,35,37,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/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)

More data for this
Ligand-Target Pair
beta-Glucuronidase (β-glucuronidase)


(Homo sapiens (Human))
BDBM193719
PNG
(2-(4-(Di(1H-indol-3-yl)methyl)benzoyl)-N-(2-fluoro...)
Show SMILES Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C31H24FN5OS/c32-25-9-3-6-12-28(25)35-31(39)37-36-30(38)20-15-13-19(14-16-20)29(23-17-33-26-10-4-1-7-21(23)26)24-18-34-27-11-5-2-8-22(24)27/h1-18,29,33-34H,(H,36,38)(H2,35,37,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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