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BDBM50206898 CHEMBL3967119

SMILES: [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1

InChI Key: InChIKey=JVWNOGCJXBHUQZ-YNHSGCSHSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50206898   
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))
BDBM50206898
PNG
(CHEMBL3967119)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1 |r|
Show InChI InChI=1S/C27H30N2O3/c1-3-11-27(32)12-10-22-21-9-6-17-14-18(25(31)29-19-5-4-13-28-16-19)7-8-20(17)24(21)23(30)15-26(22,27)2/h4-5,7-8,13-14,16,21-24,30,32H,6,9-10,12,15H2,1-2H3,(H,29,31)/t21-,22-,23-,24+,26-,27-/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 455n/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