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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38533'   
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)
BDBM38533
PNG
(MLS000030132 | N-(4-fluorophenyl)-N-(phenylmethyl)...)
Show SMILES Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.76E+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)
BDBM38533
PNG
(MLS000030132 | N-(4-fluorophenyl)-N-(phenylmethyl)...)
Show SMILES Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.01E+6n/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)
BDBM38533
PNG
(MLS000030132 | N-(4-fluorophenyl)-N-(phenylmethyl)...)
Show SMILES Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2
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