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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38008'   
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)
BDBM38008
PNG
(1-[(4-methoxyphenyl)-[1-(2-oxolanylmethyl)-5-tetra...)
Show SMILES COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C24H30N6O2/c1-31-21-11-9-19(10-12-21)23(24-25-26-27-30(24)18-22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.59E+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)
BDBM38008
PNG
(1-[(4-methoxyphenyl)-[1-(2-oxolanylmethyl)-5-tetra...)
Show SMILES COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C24H30N6O2/c1-31-21-11-9-19(10-12-21)23(24-25-26-27-30(24)18-22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.68E+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)
BDBM38008
PNG
(1-[(4-methoxyphenyl)-[1-(2-oxolanylmethyl)-5-tetra...)
Show SMILES COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C24H30N6O2/c1-31-21-11-9-19(10-12-21)23(24-25-26-27-30(24)18-22-8-5-17-32-22)29-15-13-28(14-16-29)20-6-3-2-4-7-20/h2-4,6-7,9-12,22-23H,5,8,13-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

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