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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38520'   
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)
BDBM38520
PNG
(MLS000034809 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-py...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)NCCC1=CCCCC1 |t:20|
Show InChI InChI=1S/C18H27N5O/c24-17(19-10-7-16-5-2-1-3-6-16)15-22-11-13-23(14-12-22)18-20-8-4-9-21-18/h4-5,8-9H,1-3,6-7,10-15H2,(H,19,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.34E+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)
BDBM38520
PNG
(MLS000034809 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-py...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)NCCC1=CCCCC1 |t:20|
Show InChI InChI=1S/C18H27N5O/c24-17(19-10-7-16-5-2-1-3-6-16)15-22-11-13-23(14-12-22)18-20-8-4-9-21-18/h4-5,8-9H,1-3,6-7,10-15H2,(H,19,24)
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)
BDBM38520
PNG
(MLS000034809 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-py...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)NCCC1=CCCCC1 |t:20|
Show InChI InChI=1S/C18H27N5O/c24-17(19-10-7-16-5-2-1-3-6-16)15-22-11-13-23(14-12-22)18-20-8-4-9-21-18/h4-5,8-9H,1-3,6-7,10-15H2,(H,19,24)
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