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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38537'   
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)
BDBM38537
PNG
(MLS000068955 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cy...)
Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)NCCC1=CCCCC1 |t:20|
Show InChI InChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.05E+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)
BDBM38537
PNG
(MLS000068955 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cy...)
Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)NCCC1=CCCCC1 |t:20|
Show InChI InChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.70E+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)
BDBM38537
PNG
(MLS000068955 | N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cy...)
Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)NCCC1=CCCCC1 |t:20|
Show InChI InChI=1S/C20H35N3O/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19/h7,19H,1-6,8-17H2,(H,21,24)
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