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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38529'   
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)
BDBM38529
PNG
(1-(4-Benzhydryl-piperazin-1-yl)-2-(4-pyrimidin-2-y...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N6O/c34-25(22-30-14-16-33(17-15-30)27-28-12-7-13-29-27)31-18-20-32(21-19-31)26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,26H,14-22H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.80E+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)
BDBM38529
PNG
(1-(4-Benzhydryl-piperazin-1-yl)-2-(4-pyrimidin-2-y...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N6O/c34-25(22-30-14-16-33(17-15-30)27-28-12-7-13-29-27)31-18-20-32(21-19-31)26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,26H,14-22H2
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/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38529
PNG
(1-(4-Benzhydryl-piperazin-1-yl)-2-(4-pyrimidin-2-y...)
Show SMILES O=C(CN1CCN(CC1)c1ncccn1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N6O/c34-25(22-30-14-16-33(17-15-30)27-28-12-7-13-29-27)31-18-20-32(21-19-31)26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,26H,14-22H2
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