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BDBM84208 MLS000065352::N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-N-methyl-benzenesulfonamide::N-methyl-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::N-methyl-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]benzenesulfonamide::N-methyl-N-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}benzenesulfonamide (non-preferred name)::SMR000079075::cid_2964893

SMILES: CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=MPKRKRDSVIXPEN-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 = 84208   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM84208
PNG
(MLS000065352 | N-[2-keto-2-[4-(2-pyridyl)piperazin...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O3S/c1-20(26(24,25)16-7-3-2-4-8-16)15-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10H,11-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 43.5n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2GX493V
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM84208
PNG
(MLS000065352 | N-[2-keto-2-[4-(2-pyridyl)piperazin...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O3S/c1-20(26(24,25)16-7-3-2-4-8-16)15-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10H,11-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 274n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2RB734K
More data for this
Ligand-Target Pair