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BDBM50456762 CHEMBL4215072

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)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC

InChI Key: InChIKey=QFOZNLVIELMDMK-FPFQSWSYSA-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 = 50456762   
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))
BDBM50456762
PNG
(CHEMBL4215072)
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)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22|
Show InChI InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/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))
BDBM50456762
PNG
(CHEMBL4215072)
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)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22|
Show InChI InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/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