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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50423189'   
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))
BDBM50423189
PNG
(CHEMBL392319)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
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n/an/a 9.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423189
PNG
(CHEMBL392319)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
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n/an/a 9.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423189
PNG
(CHEMBL392319)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423189
PNG
(CHEMBL392319)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423189
PNG
(CHEMBL392319)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
PDB

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Article
PubMed
n/an/a 933n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha...


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423189
PNG
(CHEMBL392319)
Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 933n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha...


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair