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BDBM84321 4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-benzenesulfonamide::4-chloranyl-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::4-chloro-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-N-methyl-benzenesulfonamide::4-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::4-chloro-N-methyl-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]benzenesulfonamide::MLS001223395::SMR000613536::cid_3164412

SMILES: CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=NDKMXYUGRAXKEP-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 = 84321   
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
CCR5


(Homo sapiens (Human))
BDBM84321
PNG
(4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piper...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c1-21(27(25,26)16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.46n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23B5XSC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM84321
PNG
(4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piper...)
Show SMILES CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4O3S/c1-21(27(25,26)16-7-5-15(19)6-8-16)14-18(24)23-12-10-22(11-13-23)17-4-2-3-9-20-17/h2-9H,10-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 357n/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 (2012)


Article DOI: 10.1038/nchembio.2087
BindingDB Entry DOI: 10.7270/Q2R49PB0
More data for this
Ligand-Target Pair