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BDBM68570 MLS000052177::N-(1,3-benzodioxol-5-yl)-2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide::N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide::N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)acetamide::N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide::N-1,3-benzodioxol-5-yl-2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide::SMR000081547::cid_1252334

SMILES: Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=DWMGVUNMPCGNRD-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 68570   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68570
PNG
(MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...)
Show SMILES Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H19ClN2O6S/c20-15-10-14(29(24,25)22-7-1-2-8-22)4-6-16(15)26-11-19(23)21-13-3-5-17-18(9-13)28-12-27-17/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,23)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM68570
PNG
(MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...)
Show SMILES Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H19ClN2O6S/c20-15-10-14(29(24,25)22-7-1-2-8-22)4-6-16(15)26-11-19(23)21-13-3-5-17-18(9-13)28-12-27-17/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,23)
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n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM68570
PNG
(MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...)
Show SMILES Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H19ClN2O6S/c20-15-10-14(29(24,25)22-7-1-2-8-22)4-6-16(15)26-11-19(23)21-13-3-5-17-18(9-13)28-12-27-17/h3-6,9-10H,1-2,7-8,11-12H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair