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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50316561'   
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))
BDBM50316561
PNG
(1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(...)
Show SMILES OC(c1ccc(F)c(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2O/c22-17-10-14(1-7-18(17)24)20(30,21(25,26)27)13-2-8-19-12(9-13)11-28-29(19)16-5-3-15(23)4-6-16/h1-11,30H
PDB

KEGG

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PC sid
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Article
PubMed
n/an/a 117n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polariztion competitive binding assay


Bioorg Med Chem Lett 20: 3017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.012
BindingDB Entry DOI: 10.7270/Q23779P9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50316561
PNG
(1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(...)
Show SMILES OC(c1ccc(F)c(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2O/c22-17-10-14(1-7-18(17)24)20(30,21(25,26)27)13-2-8-19-12(9-13)11-28-29(19)16-5-3-15(23)4-6-16/h1-11,30H
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 117n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polariztion competitive binding assay


Bioorg Med Chem Lett 20: 3017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.012
BindingDB Entry DOI: 10.7270/Q23779P9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50316561
PNG
(1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(...)
Show SMILES OC(c1ccc(F)c(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2O/c22-17-10-14(1-7-18(17)24)20(30,21(25,26)27)13-2-8-19-12(9-13)11-28-29(19)16-5-3-15(23)4-6-16/h1-11,30H
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 1.10E+3n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human MDA-kb2 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC ge...


Bioorg Med Chem Lett 20: 3017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.012
BindingDB Entry DOI: 10.7270/Q23779P9
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50316561
PNG
(1-(2-chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(...)
Show SMILES OC(c1ccc(F)c(Cl)c1)(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H12ClF5N2O/c22-17-10-14(1-7-18(17)24)20(30,21(25,26)27)13-2-8-19-12(9-13)11-28-29(19)16-5-3-15(23)4-6-16/h1-11,30H
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 93n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human fibroblast assessed as inhibition of IL-1-beta-induced IL6 production treated 1 hr before IL1-be...


Bioorg Med Chem Lett 20: 3017-20 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.012
BindingDB Entry DOI: 10.7270/Q23779P9
More data for this
Ligand-Target Pair