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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50086551'   
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))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
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



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamethasone-induced glucose response element transcriptional transactivati...


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 113n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Cross-reactivity as binding to human glucocorticoid receptor (hGR)


Bioorg Med Chem Lett 10: 415-8 (2000)


BindingDB Entry DOI: 10.7270/Q2P26ZMF
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 beta-induced E-selectin expression


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50086551
PNG
(4-Methyl-5-(2,2,4-trimethyl-1,2,3,4-tetrahydro-qui...)
Show SMILES CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
Show InChI InChI=1S/C18H20N2S/c1-11-7-14(10-19)21-17(11)13-5-6-16-15(8-13)12(2)9-18(3,4)20-16/h5-8,12,20H,9H2,1-4H3
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+3n/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor assessed as glucose repsponse element transcriptional transactivation by luciferase assay


Bioorg Med Chem Lett 18: 3504-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F
More data for this
Ligand-Target Pair