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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38542'   
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)
BDBM38542
PNG
((2,3-Dimethoxy-phenyl)-[4-(4-phenyl-cyclohexyl)-pi...)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)c1OC |(2.16,.95,;2.16,2.49,;3.49,3.26,;4.83,2.49,;6.16,3.26,;6.16,4.8,;4.83,5.57,;4.83,7.11,;3.49,7.88,;6.16,7.88,;6.16,9.42,;7.5,10.19,;8.83,9.42,;8.83,7.88,;7.5,7.11,;10.16,10.19,;11.5,9.42,;12.83,10.19,;12.83,11.73,;11.5,12.5,;10.16,11.73,;14.16,12.5,;15.5,11.73,;16.83,12.5,;16.83,14.05,;15.5,14.82,;14.16,14.05,;3.49,4.8,;2.16,5.57,;.83,4.8,)|
Show InChI InChI=1S/C25H32N2O3/c1-29-23-10-6-9-22(24(23)30-2)25(28)27-17-15-26(16-18-27)21-13-11-20(12-14-21)19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+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)
BDBM38542
PNG
((2,3-Dimethoxy-phenyl)-[4-(4-phenyl-cyclohexyl)-pi...)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)c1OC |(2.16,.95,;2.16,2.49,;3.49,3.26,;4.83,2.49,;6.16,3.26,;6.16,4.8,;4.83,5.57,;4.83,7.11,;3.49,7.88,;6.16,7.88,;6.16,9.42,;7.5,10.19,;8.83,9.42,;8.83,7.88,;7.5,7.11,;10.16,10.19,;11.5,9.42,;12.83,10.19,;12.83,11.73,;11.5,12.5,;10.16,11.73,;14.16,12.5,;15.5,11.73,;16.83,12.5,;16.83,14.05,;15.5,14.82,;14.16,14.05,;3.49,4.8,;2.16,5.57,;.83,4.8,)|
Show InChI InChI=1S/C25H32N2O3/c1-29-23-10-6-9-22(24(23)30-2)25(28)27-17-15-26(16-18-27)21-13-11-20(12-14-21)19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.47E+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)
BDBM38542
PNG
((2,3-Dimethoxy-phenyl)-[4-(4-phenyl-cyclohexyl)-pi...)
Show SMILES COc1cccc(C(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)c1OC |(2.16,.95,;2.16,2.49,;3.49,3.26,;4.83,2.49,;6.16,3.26,;6.16,4.8,;4.83,5.57,;4.83,7.11,;3.49,7.88,;6.16,7.88,;6.16,9.42,;7.5,10.19,;8.83,9.42,;8.83,7.88,;7.5,7.11,;10.16,10.19,;11.5,9.42,;12.83,10.19,;12.83,11.73,;11.5,12.5,;10.16,11.73,;14.16,12.5,;15.5,11.73,;16.83,12.5,;16.83,14.05,;15.5,14.82,;14.16,14.05,;3.49,4.8,;2.16,5.57,;.83,4.8,)|
Show InChI InChI=1S/C25H32N2O3/c1-29-23-10-6-9-22(24(23)30-2)25(28)27-17-15-26(16-18-27)21-13-11-20(12-14-21)19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3
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