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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38517'   
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)
BDBM38517
PNG
(4-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]-2-meth...)
Show SMILES CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H23N3O5S/c1-3-28-21(27)16-12-18-15(11-14(2)30-18)24(16)13-19(25)22-6-8-23(9-7-22)20(26)17-5-4-10-29-17/h4-5,10-12H,3,6-9,13H2,1-2H3
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)
BDBM38517
PNG
(4-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]-2-meth...)
Show SMILES CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H23N3O5S/c1-3-28-21(27)16-12-18-15(11-14(2)30-18)24(16)13-19(25)22-6-8-23(9-7-22)20(26)17-5-4-10-29-17/h4-5,10-12H,3,6-9,13H2,1-2H3
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/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38517
PNG
(4-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]-2-meth...)
Show SMILES CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C21H23N3O5S/c1-3-28-21(27)16-12-18-15(11-14(2)30-18)24(16)13-19(25)22-6-8-23(9-7-22)20(26)17-5-4-10-29-17/h4-5,10-12H,3,6-9,13H2,1-2H3
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