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BDBM46341 2-[2-[[2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester::2-[2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester::MLS000057185::SMR000064791::cid_2571288::ethyl 2-[2-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate::ethyl 2-[2-[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate

SMILES: CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1

InChI Key: InChIKey=ZZXNWSABDOCEFL-UHFFFAOYSA-N

Data: 2 IC50

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 = 46341   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46341
PNG
(2-[2-[[2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-p...)
Show SMILES CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1
Show InChI InChI=1S/C18H24N4O5S2/c1-5-27-13(24)6-11-8-28-17(20-11)29-9-12(23)14-15(19)22(7-10(2)3)18(26)21(4)16(14)25/h8,10H,5-7,9,19H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM46341
PNG
(2-[2-[[2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-p...)
Show SMILES CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1
Show InChI InChI=1S/C18H24N4O5S2/c1-5-27-13(24)6-11-8-28-17(20-11)29-9-12(23)14-15(19)22(7-10(2)3)18(26)21(4)16(14)25/h8,10H,5-7,9,19H2,1-4H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair