BindingDB logo
myBDB logout

BDBM88704 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide::2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide::MLS002162205::N-(1-benzyl-4-piperidyl)-2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetamide::N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide::SMR001244615::cid_4786581

SMILES: CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=HZTPYIISKLDEAS-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 = 88704   
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...)
BDBM88704
PNG
(2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[1-(ph...)
Show SMILES CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN3O3S/c1-24(29(27,28)20-9-7-18(22)8-10-20)16-21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)
BDBM88704
PNG
(2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[1-(ph...)
Show SMILES CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN3O3S/c1-24(29(27,28)20-9-7-18(22)8-10-20)16-21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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