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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM68570 (MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/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 (MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >3.59E+4 | n/a | n/a | n/a | n/a | n/a | n/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 (MLS000052177 | N-(1,3-benzodioxol-5-yl)-2-(2-chlor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >3.59E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |