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BDBM25318 (4-methoxyphenyl)methyl 2-methyl-5-oxo-4,7-bis(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate::ChemBridge hexahydroquinoline-3-carboxylate, 10

InChI string: InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-12,18,25-26H,13-15H2,1-2H3

SMILES: COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1

InChI Key: InChIKey=LVJKPMXIISWWAP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25318   
Target
(Institution)
LigandTarget
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
ATP Phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25318
PNG
((4-methoxyphenyl)methyl 2-methyl-5-oxo-4,7-bis(thi...)
Show SMILES COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1
Show InChI InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-12,18,25-26H,13-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+4n/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)

More data for this
Ligand-Target Pair