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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38546'   
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)
BDBM38546
PNG
(MLS000070270 | N-(2-furanylmethyl)-2-[[2-(3-methox...)
Show SMILES COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C20H23N3O4S2/c1-26-9-4-8-23-19(25)17-14-6-2-7-15(14)29-18(17)22-20(23)28-12-16(24)21-11-13-5-3-10-27-13/h3,5,10H,2,4,6-9,11-12H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38546
PNG
(MLS000070270 | N-(2-furanylmethyl)-2-[[2-(3-methox...)
Show SMILES COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C20H23N3O4S2/c1-26-9-4-8-23-19(25)17-14-6-2-7-15(14)29-18(17)22-20(23)28-12-16(24)21-11-13-5-3-10-27-13/h3,5,10H,2,4,6-9,11-12H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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)
BDBM38546
PNG
(MLS000070270 | N-(2-furanylmethyl)-2-[[2-(3-methox...)
Show SMILES COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3CCCc3c2c1=O
Show InChI InChI=1S/C20H23N3O4S2/c1-26-9-4-8-23-19(25)17-14-6-2-7-15(14)29-18(17)22-20(23)28-12-16(24)21-11-13-5-3-10-27-13/h3,5,10H,2,4,6-9,11-12H2,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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/Q23X852V
More data for this
Ligand-Target Pair