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BDBM50456760 CHEMBL4205263

SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC

InChI Key: InChIKey=XJEKNPKKMJHHNM-CZBYLUSZSA-N

Data: 1 IC50  1 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 = 50456760   
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))
BDBM50456760
PNG
(CHEMBL4205263)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456760
PNG
(CHEMBL4205263)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair