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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50355723'   
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))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
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Article
PubMed
1.68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
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Article
PubMed
n/an/an/an/a 25.6n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor alpha in IL-1beta-stimulated human A549 cells assessed as inhibition of NFkappaB-dependent E-sele...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
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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
Transactivation activity at glucocorticoid receptor alpha human 13D3/Huh7 cells assessed as induction of TAT activity after 4 hrs by spectrophotometr...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 204n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as inhibition of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as induction of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355723
PNG
(CHEMBL1911277)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCCC2)c(F)c1)C(=O)Nc1nncs1 |r|
Show InChI InChI=1S/C30H28FN5O3S/c1-30(2,28(38)34-29-35-32-17-40-29)25-20-8-4-5-9-24(20)39-26-21(25)12-13-23(33-26)18-10-11-19(22(31)16-18)27(37)36-14-6-3-7-15-36/h4-5,8-13,16-17,25H,3,6-7,14-15H2,1-2H3,(H,34,35,38)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


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Article
PubMed
n/an/an/an/a 27.5n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor alpha in phorbol myristate acetate-stimulated human A549 cells assessed as inhibition of AP1 resp...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair