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SMILES: CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1

InChI Key: InChIKey=QAANQFFTQRKOJX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 38551   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38551
PNG
(3-(4-morpholin-4-ylbut-2-ynyl)-5-pentyloxolan-2-on...)
Show SMILES CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1
Show InChI InChI=1S/C17H27NO3/c1-2-3-4-8-16-14-15(17(19)21-16)7-5-6-9-18-10-12-20-13-11-18/h15-16H,2-4,7-14H2,1H3
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
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38551
PNG
(3-(4-morpholin-4-ylbut-2-ynyl)-5-pentyloxolan-2-on...)
Show SMILES CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1
Show InChI InChI=1S/C17H27NO3/c1-2-3-4-8-16-14-15(17(19)21-16)7-5-6-9-18-10-12-20-13-11-18/h15-16H,2-4,7-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.13E+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)
BDBM38551
PNG
(3-(4-morpholin-4-ylbut-2-ynyl)-5-pentyloxolan-2-on...)
Show SMILES CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1
Show InChI InChI=1S/C17H27NO3/c1-2-3-4-8-16-14-15(17(19)21-16)7-5-6-9-18-10-12-20-13-11-18/h15-16H,2-4,7-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.69E+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