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BDBM50450141 CHEMBL4165560

SMILES: [H][C@]12[#6]-[#6][C@]3([#6]-[#8]3)[#6@@H](-[#6]\[#6]=[#6]-3/[#6@@H](-[#6]-[#8]-[#6]-3=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[C@]1([#6])[#6]-[#6]-[#6](=O)[C@@]2([#6])[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6]

InChI Key: InChIKey=XSXSHQWMZJSEDQ-QRJNCORLSA-N

Data: 5 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 5 hits for monomerid = 50450141   
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))
BDBM50450141
PNG
(CHEMBL4165560)
Show SMILES [H][C@]12[#6]-[#6][C@]3([#6]-[#8]3)[#6@@H](-[#6]\[#6]=[#6]-3/[#6@@H](-[#6]-[#8]-[#6]-3=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[C@]1([#6])[#6]-[#6]-[#6](=O)[C@@]2([#6])[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6] |r|
Show InChI InChI=1S/C32H56O6Si2/c1-28(2,3)39(9,10)37-20-31(8)24-15-18-32(21-36-32)25(30(24,7)17-16-26(31)33)14-13-22-23(19-35-27(22)34)38-40(11,12)29(4,5)6/h13,23-25H,14-21H2,1-12H3/b22-13+/t23-,24+,25+,30-,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Macau

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-stimulated STAT3 activation in human HeLa cells incubated with IFNgamma for 16 hrs followed by compound addition measured afte...


Bioorg Med Chem 26: 5053-5061 (2018)


Article DOI: 10.1016/j.bmc.2018.09.002
BindingDB Entry DOI: 10.7270/Q2ST7SDK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50450141
PNG
(CHEMBL4165560)
Show SMILES [H][C@]12[#6]-[#6][C@]3([#6]-[#8]3)[#6@@H](-[#6]\[#6]=[#6]-3/[#6@@H](-[#6]-[#8]-[#6]-3=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[C@]1([#6])[#6]-[#6]-[#6](=O)[C@@]2([#6])[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6] |r|
Show InChI InChI=1S/C32H56O6Si2/c1-28(2,3)39(9,10)37-20-31(8)24-15-18-32(21-36-32)25(30(24,7)17-16-26(31)33)14-13-22-23(19-35-27(22)34)38-40(11,12)29(4,5)6/h13,23-25H,14-21H2,1-12H3/b22-13+/t23-,24+,25+,30-,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Macau

Curated by ChEMBL


Assay Description
Inhibition of NF-kappaB stimulated STAT3 activation in human HeLa cells incubated with NF-kappaB for 16 hrs followed by compound addition measured af...


Bioorg Med Chem 26: 5053-5061 (2018)


Article DOI: 10.1016/j.bmc.2018.09.002
BindingDB Entry DOI: 10.7270/Q2ST7SDK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50450141
PNG
(CHEMBL4165560)
Show SMILES [H][C@]12[#6]-[#6][C@]3([#6]-[#8]3)[#6@@H](-[#6]\[#6]=[#6]-3/[#6@@H](-[#6]-[#8]-[#6]-3=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[C@]1([#6])[#6]-[#6]-[#6](=O)[C@@]2([#6])[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6] |r|
Show InChI InChI=1S/C32H56O6Si2/c1-28(2,3)39(9,10)37-20-31(8)24-15-18-32(21-36-32)25(30(24,7)17-16-26(31)33)14-13-22-23(19-35-27(22)34)38-40(11,12)29(4,5)6/h13,23-25H,14-21H2,1-12H3/b22-13+/t23-,24+,25+,30-,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Macau

Curated by ChEMBL


Assay Description
Inhibition of IL-6 stimulated STAT3 activation in human AD293 cells incubated with IL-6 for 16 hrs followed by compound addition measured after 6 hrs...


Bioorg Med Chem 26: 5053-5061 (2018)


Article DOI: 10.1016/j.bmc.2018.09.002
BindingDB Entry DOI: 10.7270/Q2ST7SDK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50450141
PNG
(CHEMBL4165560)
Show SMILES [H][C@]12[#6]-[#6][C@]3([#6]-[#8]3)[#6@@H](-[#6]\[#6]=[#6]-3/[#6@@H](-[#6]-[#8]-[#6]-3=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[C@]1([#6])[#6]-[#6]-[#6](=O)[C@@]2([#6])[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6] |r|
Show InChI InChI=1S/C32H56O6Si2/c1-28(2,3)39(9,10)37-20-31(8)24-15-18-32(21-36-32)25(30(24,7)17-16-26(31)33)14-13-22-23(19-35-27(22)34)38-40(11,12)29(4,5)6/h13,23-25H,14-21H2,1-12H3/b22-13+/t23-,24+,25+,30-,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Macau

Curated by ChEMBL


Assay Description
Inhibition of NF-kappaB stimulated STAT3 activation in human AD293 cells incubated with NF-kappaB for 16 hrs followed by compound addition measured a...


Bioorg Med Chem 26: 5053-5061 (2018)


Article DOI: 10.1016/j.bmc.2018.09.002
BindingDB Entry DOI: 10.7270/Q2ST7SDK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50450141
PNG
(CHEMBL4165560)
Show SMILES [H][C@]12[#6]-[#6][C@]3([#6]-[#8]3)[#6@@H](-[#6]\[#6]=[#6]-3/[#6@@H](-[#6]-[#8]-[#6]-3=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[C@]1([#6])[#6]-[#6]-[#6](=O)[C@@]2([#6])[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6] |r|
Show InChI InChI=1S/C32H56O6Si2/c1-28(2,3)39(9,10)37-20-31(8)24-15-18-32(21-36-32)25(30(24,7)17-16-26(31)33)14-13-22-23(19-35-27(22)34)38-40(11,12)29(4,5)6/h13,23-25H,14-21H2,1-12H3/b22-13+/t23-,24+,25+,30-,31+,32+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.40E+3n/an/an/an/a



University of Macau

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-stimulated STAT3 activation in human AD293 cells incubated with IFNgamma for 16 hrs followed by compound addition measured aft...


Bioorg Med Chem 26: 5053-5061 (2018)


Article DOI: 10.1016/j.bmc.2018.09.002
BindingDB Entry DOI: 10.7270/Q2ST7SDK
More data for this
Ligand-Target Pair