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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50048335'   
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))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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PubMed
6.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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Article
PubMed
n/an/an/an/a 1.04E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human whole blood assessed as inhibition of LPS-induced TNF production incubated for 20 hrs prior to L...


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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PC sid
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Article
PubMed
n/an/an/an/a 302n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human HeLa cells assessed as NP-1 transactivation by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as AP-1 transrepression by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50048335
PNG
(CHEMBL3315057)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29FN4O5/c1-29(2,27(36)33-28(37)31-3)23-19-5-4-6-21(30)24(19)39-25-20(23)11-12-22(32-25)17-7-9-18(10-8-17)26(35)34-13-15-38-16-14-34/h4-12,23H,13-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells assessed as E-selectin transrepression by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 3268-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.010
BindingDB Entry DOI: 10.7270/Q21N82SN
More data for this
Ligand-Target Pair