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BDBM38521 MLS000076291::N-(2,5-Diethoxy-phenyl)-2-[4-(2,5-dimethyl-phenyl)-piperazin-1-yl]-acetamide::N-(2,5-diethoxyphenyl)-2-[4-(2,5-dimethylphenyl)-1-piperazinyl]acetamide;hydrochloride::N-(2,5-diethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride::N-(2,5-diethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanamide;hydrochloride::N-(2,5-diethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazino]acetamide;hydrochloride::SMR000008355::cid_6603066

SMILES: CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cc(C)ccc2C)c1

InChI Key: InChIKey=LFOGJDLXLZNNTM-UHFFFAOYSA-N

Data: 3 IC50

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 = 38521   
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)
BDBM38521
PNG
(MLS000076291 | N-(2,5-Diethoxy-phenyl)-2-[4-(2,5-d...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cc(C)ccc2C)c1
Show InChI InChI=1S/C24H33N3O3/c1-5-29-20-9-10-23(30-6-2)21(16-20)25-24(28)17-26-11-13-27(14-12-26)22-15-18(3)7-8-19(22)4/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,25,28)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
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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)
BDBM38521
PNG
(MLS000076291 | N-(2,5-Diethoxy-phenyl)-2-[4-(2,5-d...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cc(C)ccc2C)c1
Show InChI InChI=1S/C24H33N3O3/c1-5-29-20-9-10-23(30-6-2)21(16-20)25-24(28)17-26-11-13-27(14-12-26)22-15-18(3)7-8-19(22)4/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,25,28)
PDB
MMDB

KEGG

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)
BDBM38521
PNG
(MLS000076291 | N-(2,5-Diethoxy-phenyl)-2-[4-(2,5-d...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cc(C)ccc2C)c1
Show InChI InChI=1S/C24H33N3O3/c1-5-29-20-9-10-23(30-6-2)21(16-20)25-24(28)17-26-11-13-27(14-12-26)22-15-18(3)7-8-19(22)4/h7-10,15-16H,5-6,11-14,17H2,1-4H3,(H,25,28)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.88E+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