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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose-5-phosphate synthase' and Ligand = 'BDBM50264035'   
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
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264035
PNG
(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7(4H...)
Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C19H15N3O/c1-13-18(15-10-6-3-7-11-15)19-20-16(12-17(23)22(19)21-13)14-8-4-2-5-9-14/h2-12,21H,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli


Bioorg Med Chem Lett 18: 5320-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.034
BindingDB Entry DOI: 10.7270/Q2TX3F71
More data for this
Ligand-Target Pair