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BDBM69202 MLS000688840::N'-(3-methoxyphenyl)-N'-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide::N'-(3-methoxyphenyl)-N'-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-N-(2-thiazolyl)butanediamide::N'-(3-methoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide::N'-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-N'-(3-methoxyphenyl)-N-thiazol-2-yl-succinamide::SMR000285715::cid_3205683

SMILES: COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1

InChI Key: InChIKey=GDEFMEDZXLRHTD-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 = 69202   
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
LANA


(Human herpesvirus 8)
BDBM69202
PNG
(MLS000688840 | N'-(3-methoxyphenyl)-N'-[2-oxidanyl...)
Show SMILES COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
Show InChI InChI=1S/C21H26N4O5S/c1-29-16-5-2-4-15(12-16)25(14-19(27)23-13-17-6-3-10-30-17)20(28)8-7-18(26)24-21-22-9-11-31-21/h2,4-5,9,11-12,17H,3,6-8,10,13-14H2,1H3,(H,23,27)(H,22,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69202
PNG
(MLS000688840 | N'-(3-methoxyphenyl)-N'-[2-oxidanyl...)
Show SMILES COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
Show InChI InChI=1S/C21H26N4O5S/c1-29-16-5-2-4-15(12-16)25(14-19(27)23-13-17-6-3-10-30-17)20(28)8-7-18(26)24-21-22-9-11-31-21/h2,4-5,9,11-12,17H,3,6-8,10,13-14H2,1H3,(H,23,27)(H,22,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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