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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38528'   
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)
BDBM38528
PNG
(2-(4-cyclohexyl-1-piperazinyl)-N-(2-phenylphenyl)a...)
Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H31N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.12E+4n/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)
BDBM38528
PNG
(2-(4-cyclohexyl-1-piperazinyl)-N-(2-phenylphenyl)a...)
Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H31N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.56E+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)
BDBM38528
PNG
(2-(4-cyclohexyl-1-piperazinyl)-N-(2-phenylphenyl)a...)
Show SMILES O=C(CN1CCN(CC1)C1CCCCC1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H31N3O/c28-24(19-26-15-17-27(18-16-26)21-11-5-2-6-12-21)25-23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,25,28)
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