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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38526'   
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)
BDBM38526
PNG
(MLS000030125 | N-(2,5-Diethoxy-phenyl)-2-(3-methyl...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(C)C2)c2cccc(C)c2)c1
Show InChI InChI=1S/C24H33N3O3/c1-5-29-21-10-11-23(30-6-2)22(15-21)25-24(28)17-26-12-13-27(19(4)16-26)20-9-7-8-18(3)14-20/h7-11,14-15,19H,5-6,12-13,16-17H2,1-4H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem

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PCBioAssay
n/an/a 3.44E+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/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38526
PNG
(MLS000030125 | N-(2,5-Diethoxy-phenyl)-2-(3-methyl...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(C)C2)c2cccc(C)c2)c1
Show InChI InChI=1S/C24H33N3O3/c1-5-29-21-10-11-23(30-6-2)22(15-21)25-24(28)17-26-12-13-27(19(4)16-26)20-9-7-8-18(3)14-20/h7-11,14-15,19H,5-6,12-13,16-17H2,1-4H3,(H,25,28)
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
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38526
PNG
(MLS000030125 | N-(2,5-Diethoxy-phenyl)-2-(3-methyl...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(C)C2)c2cccc(C)c2)c1
Show InChI InChI=1S/C24H33N3O3/c1-5-29-21-10-11-23(30-6-2)22(15-21)25-24(28)17-26-12-13-27(19(4)16-26)20-9-7-8-18(3)14-20/h7-11,14-15,19H,5-6,12-13,16-17H2,1-4H3,(H,25,28)
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/Q23X852V
More data for this
Ligand-Target Pair