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BDBM50276129 (2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2,6-diol::CHEMBL469944

SMILES: CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1

InChI Key: InChIKey=GCOOQJNTLZWDDG-JICSPOFQNA-N

Data: 2 IC50

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 = 50276129   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276129
PNG
((2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-...)
Show SMILES CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1/C22H26O2/c1-2-22-14-21(24)19(15-6-4-3-5-7-15)13-17(22)9-8-16-12-18(23)10-11-20(16)22/h3-7,10-12,17,19,21,23-24H,2,8-9,13-14H2,1H3/t17-,19+,21+,22-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50276129
PNG
((2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-...)
Show SMILES CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show InChI InChI=1/C22H26O2/c1-2-22-14-21(24)19(15-6-4-3-5-7-15)13-17(22)9-8-16-12-18(23)10-11-20(16)22/h3-7,10-12,17,19,21,23-24H,2,8-9,13-14H2,1H3/t17-,19+,21+,22-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor


J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair