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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38544'   
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)
BDBM38544
PNG
(1-[4-(4-Hydroxy-3,5-dimethoxy-benzyl)-piperazin-1-...)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1O
Show InChI InChI=1S/C18H28N2O4/c1-13(2)9-17(21)20-7-5-19(6-8-20)12-14-10-15(23-3)18(22)16(11-14)24-4/h10-11,13,22H,5-9,12H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.12E+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/Q23X852V
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38544
PNG
(1-[4-(4-Hydroxy-3,5-dimethoxy-benzyl)-piperazin-1-...)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1O
Show InChI InChI=1S/C18H28N2O4/c1-13(2)9-17(21)20-7-5-19(6-8-20)12-14-10-15(23-3)18(22)16(11-14)24-4/h10-11,13,22H,5-9,12H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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)
BDBM38544
PNG
(1-[4-(4-Hydroxy-3,5-dimethoxy-benzyl)-piperazin-1-...)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1O
Show InChI InChI=1S/C18H28N2O4/c1-13(2)9-17(21)20-7-5-19(6-8-20)12-14-10-15(23-3)18(22)16(11-14)24-4/h10-11,13,22H,5-9,12H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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