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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38522'   
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)
BDBM38522
PNG
(1-Ethanesulfonyl-4-(2-ethoxy-benzyl)-piperazine | ...)
Show SMILES CCOc1ccccc1CN1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C15H24N2O3S/c1-3-20-15-8-6-5-7-14(15)13-16-9-11-17(12-10-16)21(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.16E+5n/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)
BDBM38522
PNG
(1-Ethanesulfonyl-4-(2-ethoxy-benzyl)-piperazine | ...)
Show SMILES CCOc1ccccc1CN1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C15H24N2O3S/c1-3-20-15-8-6-5-7-14(15)13-16-9-11-17(12-10-16)21(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3
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)
BDBM38522
PNG
(1-Ethanesulfonyl-4-(2-ethoxy-benzyl)-piperazine | ...)
Show SMILES CCOc1ccccc1CN1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C15H24N2O3S/c1-3-20-15-8-6-5-7-14(15)13-16-9-11-17(12-10-16)21(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3
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