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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mevalonate kinase' and Ligand = 'BDBM38552'   
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)
BDBM38552
PNG
((1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-...)
Show SMILES Nc1c2CCN(C3CCCCC3)c2nc2ccccc12
Show InChI InChI=1S/C17H21N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,18,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.40E+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)
BDBM38552
PNG
((1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-...)
Show SMILES Nc1c2CCN(C3CCCCC3)c2nc2ccccc12
Show InChI InChI=1S/C17H21N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,18,19)
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)
BDBM38552
PNG
((1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-...)
Show SMILES Nc1c2CCN(C3CCCCC3)c2nc2ccccc12
Show InChI InChI=1S/C17H21N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,18,19)
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