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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50356061'   
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))
BDBM50356061
PNG
(CHEMBL1911659)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)C#N
Show InChI InChI=1S/C24H23F3N2O2/c1-22(2,19-10-15(13-28)9-17-7-8-31-21(17)19)14-23(30,24(25,26)27)12-18-11-16-5-3-4-6-20(16)29-18/h3-6,9-11,29-30H,7-8,12,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356061
PNG
(CHEMBL1911659)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)C#N
Show InChI InChI=1S/C24H23F3N2O2/c1-22(2,19-10-15(13-28)9-17-7-8-31-21(17)19)14-23(30,24(25,26)27)12-18-11-16-5-3-4-6-20(16)29-18/h3-6,9-11,29-30H,7-8,12,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50356061
PNG
(CHEMBL1911659)
Show SMILES CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)C#N
Show InChI InChI=1S/C24H23F3N2O2/c1-22(2,19-10-15(13-28)9-17-7-8-31-21(17)19)14-23(30,24(25,26)27)12-18-11-16-5-3-4-6-20(16)29-18/h3-6,9-11,29-30H,7-8,12,14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 356n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Transactivation activity of glucocorticoid receptor in HFF assessed as induction of aromatase activity by measuring beta-estradiol activity after 18 ...


Bioorg Med Chem Lett 21: 6842-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.018
BindingDB Entry DOI: 10.7270/Q2CV4J51
More data for this
Ligand-Target Pair