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BDBM25460 2-[(4-oxo-4H-triphenylene-11-)sulfinyl]acetic acid::NSC16211

SMILES: OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23

InChI Key: InChIKey=WUJCZHVABXHBKL-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25460   
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
Adenosine Phosphosulfate Reductase (APSR)


(Mycobacterium tuberculosis)
BDBM25460
PNG
(2-[(4-oxo-4H-triphenylene-11-)sulfinyl]acetic acid...)
Show SMILES OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23
Show InChI InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 1.80E+5n/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