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BDBM50440934 CHEMBL2431947::US10196373, Compound XW1-083

SMILES: COC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(cc2)C2CCCCC2)c2ccc(C(O)=O)c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=YDSXLKBOTPRNLX-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440934   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440934
PNG
(CHEMBL2431947 | US10196373, Compound XW1-083)
Show SMILES COC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(cc2)C2CCCCC2)c2ccc(C(O)=O)c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C38H40N2O8S/c1-26-8-19-33(20-9-26)49(46,47)39(23-27-12-16-31(17-13-27)38(45)48-2)25-36(42)40(32-18-21-34(37(43)44)35(41)22-32)24-28-10-14-30(15-11-28)29-6-4-3-5-7-29/h8-22,29,41H,3-7,23-25H2,1-2H3,(H,43,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
5.80E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440934
PNG
(CHEMBL2431947 | US10196373, Compound XW1-083)
Show SMILES COC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(cc2)C2CCCCC2)c2ccc(C(O)=O)c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C38H40N2O8S/c1-26-8-19-33(20-9-26)49(46,47)39(23-27-12-16-31(17-13-27)38(45)48-2)25-36(42)40(32-18-21-34(37(43)44)35(41)22-32)24-28-10-14-30(15-11-28)29-6-4-3-5-7-29/h8-22,29,41H,3-7,23-25H2,1-2H3,(H,43,44)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair