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BDBM50334956 (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanenitrile::3alpha,7beta-Dihydroxy-5-beta-cholan-24-nitrile::CHEMBL1255075

SMILES: C[C@H](CCC#N)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=YAPWWCWTBOPUGG-XMLLKMCXNA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334956   
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))
BDBM50334956
PNG
((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydr...)
Show SMILES C[C@H](CCC#N)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1/C24H39NO2/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,26-27H,4-11,13-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.01E+5n/an/an/an/a



Trinity College Dublin

Curated by ChEMBL


Assay Description
Modulation of glucocorticoid receptor in human SKGT4 cells assessed as receptor translocation from cytoplasm to nucleus after 4 hrs by Hoechst staini...


J Med Chem 54: 122-30 (2011)


Article DOI: 10.1021/jm100860s
BindingDB Entry DOI: 10.7270/Q2WM1FCK
More data for this
Ligand-Target Pair