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BDBM50315606 CHEMBL1093142::Phenyl-2-deoxy-2-[3'-(8''-hydroxy-3''-methyl-1'',4''-dioxo-1'',4''-dihydronaphthalen-2''-yl)pentanamido]-1-thio-alpha-D-glucopyranoside

SMILES: Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Sc1ccccc1

InChI Key: InChIKey=FQMMCNJUFYBHOS-JKFDDXDISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315606   
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
LmbE-related protein


(Mycobacterium tuberculosis)		BDBM50315606
PNG
(CHEMBL1093142 | Phenyl-2-deoxy-2-[3'-(8''-hydroxy-...)
Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Sc1ccccc1 |r,w:15.17|
Show InChI InChI=1S/C28H31NO8S/c1-15-17(25(34)22-18(24(15)33)11-7-12-19(22)31)10-5-6-13-21(32)29-23-27(36)26(35)20(14-30)37-28(23)38-16-8-3-2-4-9-16/h2-5,7-12,20,23,26-28,30-31,33-36H,6,13-14H2,1H3,(H,29,32)/t20-,23-,26-,27-,28-/m1/s1
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Article
PubMed
 9.40E+4n/an/an/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis MshB expressed in Escherichia coli BL21 after 10 mins by HPLC analysis

Bioorg Med Chem 18: 2501-14 (2010)


Article DOI: 10.1016/j.bmc.2010.02.049
BindingDB Entry DOI: 10.7270/Q2JH3M9C
More data for this
Ligand-Target Pair