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BDBM50263970 3,5-bis(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one::CHEMBL505602

SMILES: COc1ccc(cc1)-c1c(C)[nH]n2c1nc(cc2=O)-c1ccc(OC)cc1

InChI Key: InChIKey=LPMKDSOFOXTMET-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263970   
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
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263970
PNG
(3,5-bis(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]py...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]n2c1nc(cc2=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H19N3O3/c1-13-20(15-6-10-17(27-3)11-7-15)21-22-18(12-19(25)24(21)23-13)14-4-8-16(26-2)9-5-14/h4-12,23H,1-3H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.24E+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