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BDBM88706 MLS002169358::N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide::N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide::N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide::N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-4-methyl-3-piperidinosulfonyl-benzamide::SMR001249695::cid_16329181

SMILES: COc1ccccc1C(CNC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)N1CCCC1

InChI Key: InChIKey=PTJSEMIHKXDNKD-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 88706   
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
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88706
PNG
(MLS002169358 | N-[2-(2-methoxyphenyl)-2-(1-pyrroli...)
Show SMILES COc1ccccc1C(CNC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)N1CCCC1
Show InChI InChI=1S/C26H35N3O4S/c1-20-12-13-21(18-25(20)34(31,32)29-16-6-3-7-17-29)26(30)27-19-23(28-14-8-9-15-28)22-10-4-5-11-24(22)33-2/h4-5,10-13,18,23H,3,6-9,14-17,19H2,1-2H3,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM88706
PNG
(MLS002169358 | N-[2-(2-methoxyphenyl)-2-(1-pyrroli...)
Show SMILES COc1ccccc1C(CNC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)N1CCCC1
Show InChI InChI=1S/C26H35N3O4S/c1-20-12-13-21(18-25(20)34(31,32)29-16-6-3-7-17-29)26(30)27-19-23(28-14-8-9-15-28)22-10-4-5-11-24(22)33-2/h4-5,10-13,18,23H,3,6-9,14-17,19H2,1-2H3,(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair