BindingDB logo
myBDB logout

null

SMILES: CN(CCC(=O)Nc1ccc2OCOc2c1)Cc1ccccc1

InChI Key: InChIKey=HNNHNRDDZWGPAT-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 = 38547   
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)
BDBM38547
PNG
(MLS000072327 | N-(1,3-benzodioxol-5-yl)-3-[benzyl(...)
Show SMILES CN(CCC(=O)Nc1ccc2OCOc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-20(12-14-5-3-2-4-6-14)10-9-18(21)19-15-7-8-16-17(11-15)23-13-22-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
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)
BDBM38547
PNG
(MLS000072327 | N-(1,3-benzodioxol-5-yl)-3-[benzyl(...)
Show SMILES CN(CCC(=O)Nc1ccc2OCOc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-20(12-14-5-3-2-4-6-14)10-9-18(21)19-15-7-8-16-17(11-15)23-13-22-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
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/Q2CF9NG2
More data for this
Ligand-Target Pair
Mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38547
PNG
(MLS000072327 | N-(1,3-benzodioxol-5-yl)-3-[benzyl(...)
Show SMILES CN(CCC(=O)Nc1ccc2OCOc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H20N2O3/c1-20(12-14-5-3-2-4-6-14)10-9-18(21)19-15-7-8-16-17(11-15)23-13-22-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)
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/Q23X852V
More data for this
Ligand-Target Pair