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BDBM50450172 CHEMBL4162505

SMILES: [H][C@]12[#6]-[#6]-[#6](=[#6])-[#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]

InChI Key: InChIKey=SCAKGIWGQUBTJI-XBRGCQBRSA-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 = 50450172   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50450172
PNG
(CHEMBL4162505)
Show SMILES CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]12C
Show InChI InChI=1S/C26H42O5Si/c1-17-9-12-21-25(5,14-13-22(28)26(21,6)16-27)19(17)11-10-18-20(15-30-23(18)29)31-32(7,8)24(2,3)4/h10,19-21,27H,1,9,11-16H2,2-8H3/b18-10+/t19-,20-,21+,25+,26+/m1/s1
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B.MOAD
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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))
BDBM50450172
PNG
(CHEMBL4162505)
Show SMILES CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]12C
Show InChI InChI=1S/C26H42O5Si/c1-17-9-12-21-25(5,14-13-22(28)26(21,6)16-27)19(17)11-10-18-20(15-30-23(18)29)31-32(7,8)24(2,3)4/h10,19-21,27H,1,9,11-16H2,2-8H3/b18-10+/t19-,20-,21+,25+,26+/m1/s1
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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))
BDBM50450172
PNG
(CHEMBL4162505)
Show SMILES CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]12C
Show InChI InChI=1S/C26H42O5Si/c1-17-9-12-21-25(5,14-13-22(28)26(21,6)16-27)19(17)11-10-18-20(15-30-23(18)29)31-32(7,8)24(2,3)4/h10,19-21,27H,1,9,11-16H2,2-8H3/b18-10+/t19-,20-,21+,25+,26+/m1/s1
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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))
BDBM50450172
PNG
(CHEMBL4162505)
Show SMILES CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]12C
Show InChI InChI=1S/C26H42O5Si/c1-17-9-12-21-25(5,14-13-22(28)26(21,6)16-27)19(17)11-10-18-20(15-30-23(18)29)31-32(7,8)24(2,3)4/h10,19-21,27H,1,9,11-16H2,2-8H3/b18-10+/t19-,20-,21+,25+,26+/m1/s1
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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))
BDBM50450172
PNG
(CHEMBL4162505)
Show SMILES CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]12C
Show InChI InChI=1S/C26H42O5Si/c1-17-9-12-21-25(5,14-13-22(28)26(21,6)16-27)19(17)11-10-18-20(15-30-23(18)29)31-32(7,8)24(2,3)4/h10,19-21,27H,1,9,11-16H2,2-8H3/b18-10+/t19-,20-,21+,25+,26+/m1/s1
PDB

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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 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