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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50303817'   
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))
BDBM50303817
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
Show InChI InChI=1S/C28H31FN2O/c1-27-18-31-19-30-26(21-11-13-23(29)14-12-21)24(31)17-22(27)9-6-10-25(27)28(2,32)16-15-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,25,32H,6,9-10,15-16,18H2,1-2H3/t25-,27-,28+/m0/s1
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Article
PubMed
47n/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))
BDBM50303817
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
Show InChI InChI=1S/C28H31FN2O/c1-27-18-31-19-30-26(21-11-13-23(29)14-12-21)24(31)17-22(27)9-6-10-25(27)28(2,32)16-15-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,25,32H,6,9-10,15-16,18H2,1-2H3/t25-,27-,28+/m0/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

Patents


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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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50303817
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
Show InChI InChI=1S/C28H31FN2O/c1-27-18-31-19-30-26(21-11-13-23(29)14-12-21)24(31)17-22(27)9-6-10-25(27)28(2,32)16-15-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,25,32H,6,9-10,15-16,18H2,1-2H3/t25-,27-,28+/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))
BDBM50303817
PNG
((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...)
Show SMILES C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
Show InChI InChI=1S/C28H31FN2O/c1-27-18-31-19-30-26(21-11-13-23(29)14-12-21)24(31)17-22(27)9-6-10-25(27)28(2,32)16-15-20-7-4-3-5-8-20/h3-5,7-8,11-14,17,19,25,32H,6,9-10,15-16,18H2,1-2H3/t25-,27-,28+/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>1.00E+4n/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