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BDBM50206953 CHEMBL3982975

SMILES: [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OC(=O)OCC=C)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C

InChI Key: InChIKey=FTLJWKUZWUDXMD-VJRZSFLMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206953   
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))
BDBM50206953
PNG
(CHEMBL3982975)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OC(=O)OCC=C)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C32H36N2O5/c1-5-14-32(37)15-13-25-24-12-9-21-18-22(29(35)34-26-8-7-16-33-20(26)3)10-11-23(21)28(24)27(19-31(25,32)4)39-30(36)38-17-6-2/h6-8,10-11,16,18,24-25,27-28,37H,2,9,12-13,15,17,19H2,1,3-4H3,(H,34,35)/t24-,25-,27-,28+,31-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase...


Bioorg Med Chem Lett 27: 347-353 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.007
BindingDB Entry DOI: 10.7270/Q24B339Q
More data for this
Ligand-Target Pair