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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50303825'   
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))
BDBM50303825
PNG
((5aR,6S)-1-(4-Fluorophenyl)-6-((S)-1-methoxy-1-(th...)
Show SMILES CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:8|
Show InChI InChI=1S/C25H27FN2OS/c1-24-15-28-16-27-23(17-9-11-19(26)12-10-17)20(28)14-18(24)6-4-7-21(24)25(2,29-3)22-8-5-13-30-22/h5,8-14,16,21H,4,6-7,15H2,1-3H3/t21-,24-,25-/m0/s1
PDB

KEGG

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Article
PubMed
33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303825
PNG
((5aR,6S)-1-(4-Fluorophenyl)-6-((S)-1-methoxy-1-(th...)
Show SMILES CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:8|
Show InChI InChI=1S/C25H27FN2OS/c1-24-15-28-16-27-23(17-9-11-19(26)12-10-17)20(28)14-18(24)6-4-7-21(24)25(2,29-3)22-8-5-13-30-22/h5,8-14,16,21H,4,6-7,15H2,1-3H3/t21-,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-s...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303825
PNG
((5aR,6S)-1-(4-Fluorophenyl)-6-((S)-1-methoxy-1-(th...)
Show SMILES CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:8|
Show InChI InChI=1S/C25H27FN2OS/c1-24-15-28-16-27-23(17-9-11-19(26)12-10-17)20(28)14-18(24)6-4-7-21(24)25(2,29-3)22-8-5-13-30-22/h5,8-14,16,21H,4,6-7,15H2,1-3H3/t21-,24-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...


J Med Chem 53: 1270-80 (2010)


Article DOI: 10.1021/jm901551w
BindingDB Entry DOI: 10.7270/Q2KS6SGW
More data for this
Ligand-Target Pair