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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50440114'   
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))
BDBM50440114
PNG
(CHEMBL2426123)
Show SMILES CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay


Bioorg Med Chem Lett 23: 5448-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440114
PNG
(CHEMBL2426123)
Show SMILES CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/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 725n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-stimulated AP1 response element by luciferase r...


Bioorg Med Chem Lett 23: 5448-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440114
PNG
(CHEMBL2426123)
Show SMILES CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/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>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor ligand binding domain (unknown origin) expressed in human Hela cells co-expressing GAL4 DNA bindi...


Bioorg Med Chem Lett 23: 5448-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440114
PNG
(CHEMBL2426123)
Show SMILES CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/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 124n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL1beta-stimulated NFkappaB-dependent E-selectin tr...


Bioorg Med Chem Lett 23: 5448-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S
More data for this
Ligand-Target Pair