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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin G' and Ligand = 'BDBM50135493'   
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
Cathepsin G


(Homo sapiens (Human))
BDBM50135493
PNG
(5-Fluoro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES CC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(F)cc3c2C)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C18H16FNO5S3/c1-10-14-9-13(19)5-7-16(14)26-18(10)28(24,25)20-15-6-4-12(11(2)21)8-17(15)27(3,22)23/h4-9,20H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Toa Eiyo Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human cathepsin G


Bioorg Med Chem Lett 13: 4085-8 (2003)


BindingDB Entry DOI: 10.7270/Q2QN665P
More data for this
Ligand-Target Pair