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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50338315'   
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))
BDBM50338315
PNG
((+/-)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramet...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(\C=N\OCc3ccccc3)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C29H31N3O2/c1-18-15-23(22-12-8-11-21-13-14-30-27(21)22)24(16-31-34-17-20-9-6-5-7-10-20)25-19(2)28(33)29(3,4)32-26(18)25/h5-16,19,28,30,32-33H,17H2,1-4H3/b31-16+/t19-,28+/m0/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from GR


Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50338315
PNG
((+/-)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramet...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(\C=N\OCc3ccccc3)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C29H31N3O2/c1-18-15-23(22-12-8-11-21-13-14-30-27(21)22)24(16-31-34-17-20-9-6-5-7-10-20)25-19(2)28(33)29(3,4)32-26(18)25/h5-16,19,28,30,32-33H,17H2,1-4H3/b31-16+/t19-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin transcr...


Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50338315
PNG
((+/-)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramet...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(\C=N\OCc3ccccc3)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C29H31N3O2/c1-18-15-23(22-12-8-11-21-13-14-30-27(21)22)24(16-31-34-17-20-9-6-5-7-10-20)25-19(2)28(33)29(3,4)32-26(18)25/h5-16,19,28,30,32-33H,17H2,1-4H3/b31-16+/t19-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 14.4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GR expressed in NHDF cells assessed as inhibition of IL-6 production by ELISA relative to dexamethasone


Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50338315
PNG
((+/-)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramet...)
Show SMILES C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(\C=N\OCc3ccccc3)c12)-c1cccc2cc[nH]c12 |r|
Show InChI InChI=1S/C29H31N3O2/c1-18-15-23(22-12-8-11-21-13-14-30-27(21)22)24(16-31-34-17-20-9-6-5-7-10-20)25-19(2)28(33)29(3,4)32-26(18)25/h5-16,19,28,30,32-33H,17H2,1-4H3/b31-16+/t19-,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 3.70n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ...


Bioorg Med Chem Lett 21: 1697-700 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.093
BindingDB Entry DOI: 10.7270/Q2639Q12
More data for this
Ligand-Target Pair