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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50303812'   
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))
BDBM50303812
PNG
((S)-1-(5-Chlorothiophen-2-yl)-1-((5aR,6S)-1-(4-flu...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
Show InChI InChI=1S/C24H24ClFN2OS/c1-23-13-28-14-27-22(15-6-8-17(26)9-7-15)18(28)12-16(23)4-3-5-19(23)24(2,29)20-10-11-21(25)30-20/h6-12,14,19,29H,3-5,13H2,1-2H3/t19-,23-,24-/m0/s1
PDB

KEGG

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4n/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))
BDBM50303812
PNG
((S)-1-(5-Chlorothiophen-2-yl)-1-((5aR,6S)-1-(4-flu...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
Show InChI InChI=1S/C24H24ClFN2OS/c1-23-13-28-14-27-22(15-6-8-17(26)9-7-15)18(28)12-16(23)4-3-5-19(23)24(2,29)20-10-11-21(25)30-20/h6-12,14,19,29H,3-5,13H2,1-2H3/t19-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 11n/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303812
PNG
((S)-1-(5-Chlorothiophen-2-yl)-1-((5aR,6S)-1-(4-flu...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
Show InChI InChI=1S/C24H24ClFN2OS/c1-23-13-28-14-27-22(15-6-8-17(26)9-7-15)18(28)12-16(23)4-3-5-19(23)24(2,29)20-10-11-21(25)30-20/h6-12,14,19,29H,3-5,13H2,1-2H3/t19-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 11n/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))
BDBM50303812
PNG
((S)-1-(5-Chlorothiophen-2-yl)-1-((5aR,6S)-1-(4-flu...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
Show InChI InChI=1S/C24H24ClFN2OS/c1-23-13-28-14-27-22(15-6-8-17(26)9-7-15)18(28)12-16(23)4-3-5-19(23)24(2,29)20-10-11-21(25)30-20/h6-12,14,19,29H,3-5,13H2,1-2H3/t19-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 253n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation of GAL-4 tagged glucocorticoid receptor ligand binding domain expressed in human HeLa cells assessed as NP1 activation by luciferase ...


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