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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50411488'   
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))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


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


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 38.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 38.9n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 51.3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transactivation assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50411488
PNG
(CHEMBL236018)
Show SMILES CCC1(CC(O)(Cc2cc3c(C)cc(cc3[nH]2)C#N)C(F)(F)F)CCCc2ccccc12
Show InChI InChI=1S/C26H27F3N2O/c1-3-24(10-6-8-19-7-4-5-9-22(19)24)16-25(32,26(27,28)29)14-20-13-21-17(2)11-18(15-30)12-23(21)31-20/h4-5,7,9,11-13,31-32H,3,6,8,10,14,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 51.3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transactivation assay


J Med Chem 50: 6519-34 (2007)


Article DOI: 10.1021/jm070778w
BindingDB Entry DOI: 10.7270/Q21R6RRR
More data for this
Ligand-Target Pair