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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine Phosphosulfate Reductase (APSR)' and Ligand = 'BDBM25463'   
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
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25463
PNG
(2-(1,2,4-triazatriphenylen-3-ylsulfanyl)acetic aci...)
Show SMILES OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1
Show InChI InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.69E+4n/an/an/a7.530



The Scripps Research Institute



Assay Description
Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...


J Med Chem 51: 6627-30 (2008)


Article DOI: 10.1021/jm800571m
BindingDB Entry DOI: 10.7270/Q2PK0DFG
More data for this
Ligand-Target Pair