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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38361'   
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)
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.93E+3n/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)
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.46E+4n/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)
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
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