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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38518'   
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
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38518
PNG
(2-furanyl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2ncnc2n1
Show InChI InChI=1S/C15H16N6O2/c1-11-9-13(21-15(18-11)16-10-17-21)19-4-6-20(7-5-19)14(22)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q27P8WSS
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38518
PNG
(2-furanyl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2ncnc2n1
Show InChI InChI=1S/C15H16N6O2/c1-11-9-13(21-15(18-11)16-10-17-21)19-4-6-20(7-5-19)14(22)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38518
PNG
(2-furanyl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrim...)
Show SMILES Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2ncnc2n1
Show InChI InChI=1S/C15H16N6O2/c1-11-9-13(21-15(18-11)16-10-17-21)19-4-6-20(7-5-19)14(22)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+7n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23X852V
More data for this
Ligand-Target Pair