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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50081075'   
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))
BDBM50081075
PNG
(CHEMBL3421887)
Show SMILES [H][C@]12CC(=O)c3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|
Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human GR


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081075
PNG
(CHEMBL3421887)
Show SMILES [H][C@]12CC(=O)c3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|
Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50081075
PNG
(CHEMBL3421887)
Show SMILES [H][C@]12CC(=O)c3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|
Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...


J Med Chem 58: 2658-77 (2015)


Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C
More data for this
Ligand-Target Pair