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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Arabinosyltransferase A' and Ligand = 'BDBM50215417'   
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
Arabinosyltransferase A


(Mycobacterium tuberculosis)
BDBM50215417
PNG
((2R,3S,4S,5R)-2-((bis(cyclohexylmethyl)amino)methy...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CN(CC1CCCCC1)CC1CCCCC1)\C=C\[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C40H70N2O6/c43-37-33(47-35(39(37)45)27-41(23-29-13-5-1-6-14-29)24-30-15-7-2-8-16-30)21-22-34-38(44)40(46)36(48-34)28-42(25-31-17-9-3-10-18-31)26-32-19-11-4-12-20-32/h21-22,29-40,43-46H,1-20,23-28H2/b22-21+/t33-,34-,35-,36-,37-,38-,39-,40-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.15E+6n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis arabinosyl transferase assessed as [14C]arabinofuranose incorporation


Bioorg Med Chem Lett 17: 4527-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.099
BindingDB Entry DOI: 10.7270/Q26T0MBP
More data for this
Ligand-Target Pair