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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50206944'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206944
PNG
(CHEMBL3927299)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C30H36N2O3/c1-18(2)11-13-30(35)14-12-24-23-10-7-20-16-21(28(34)32-25-6-5-15-31-19(25)3)8-9-22(20)27(23)26(33)17-29(24,30)4/h5-6,8-9,15-16,18,23-24,26-27,33,35H,7,10,12,14,17H2,1-4H3,(H,32,34)/t23-,24-,26-,27+,29-,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 37n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50206944
PNG
(CHEMBL3927299)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@H](O)[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)Nc1cccnc1C |r|
Show InChI InChI=1S/C30H36N2O3/c1-18(2)11-13-30(35)14-12-24-23-10-7-20-16-21(28(34)32-25-6-5-15-31-19(25)3)8-9-22(20)27(23)26(33)17-29(24,30)4/h5-6,8-9,15-16,18,23-24,26-27,33,35H,7,10,12,14,17H2,1-4H3,(H,32,34)/t23-,24-,26-,27+,29-,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene as...


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