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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50206949'   
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))
BDBM50206949
PNG
(CHEMBL3891049)
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)Nc1ccncc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-11-28(33)12-9-22-21-8-5-18-14-19(26(32)30-23-10-13-29-16-17(23)2)6-7-20(18)25(21)24(31)15-27(22,28)3/h6-7,10,13-14,16,21-22,24-25,31,33H,5,8-9,12,15H2,1-3H3,(H,29,30,32)/t21-,22-,24-,25+,27-,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.36E+3n/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))
BDBM50206949
PNG
(CHEMBL3891049)
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)Nc1ccncc1C |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-11-28(33)12-9-22-21-8-5-18-14-19(26(32)30-23-10-13-29-16-17(23)2)6-7-20(18)25(21)24(31)15-27(22,28)3/h6-7,10,13-14,16,21-22,24-25,31,33H,5,8-9,12,15H2,1-3H3,(H,29,30,32)/t21-,22-,24-,25+,27-,28-/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 149n/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