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SMILES: CCN(CC)C(=O)CN1CCN(CC1)c1ccccc1F

InChI Key: InChIKey=PAGQZCSMMXXFNV-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 = 38523   
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)
BDBM38523
PNG
(MLS000076240 | N,N-Diethyl-2-[4-(2-fluoro-phenyl)-...)
Show SMILES CCN(CC)C(=O)CN1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C16H24FN3O/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)15-8-6-5-7-14(15)17/h5-8H,3-4,9-13H2,1-2H3
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)
BDBM38523
PNG
(MLS000076240 | N,N-Diethyl-2-[4-(2-fluoro-phenyl)-...)
Show SMILES CCN(CC)C(=O)CN1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C16H24FN3O/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)15-8-6-5-7-14(15)17/h5-8H,3-4,9-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.80E+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/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38523
PNG
(MLS000076240 | N,N-Diethyl-2-[4-(2-fluoro-phenyl)-...)
Show SMILES CCN(CC)C(=O)CN1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C16H24FN3O/c1-3-19(4-2)16(21)13-18-9-11-20(12-10-18)15-8-6-5-7-14(15)17/h5-8H,3-4,9-13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.72E+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