BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 284 hits with Last Name = 'hemmerling' and Initial = 'm'   
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))		BDBM50250114
PNG
(CHEMBL4104286)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250125
PNG
(CHEMBL4061359)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203432
PNG
(CHEMBL3911831)
Show SMILES CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F4N3O2S/c1-15(31-24(33)25(27,28)29)23(16-3-10-21(35-2)11-4-16)34-20-9-12-22-17(13-20)14-30-32(22)19-7-5-18(26)6-8-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250115
PNG
(CHEMBL4086388)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.0320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0370n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203441
PNG
(CHEMBL3973775)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C27H20F4N4O2/c1-16(34-26(36)27(29,30)31)25(19-12-17-4-2-3-5-23(17)32-14-19)37-22-10-11-24-18(13-22)15-33-35(24)21-8-6-20(28)7-9-21/h2-16,25H,1H3,(H,34,36)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203418
PNG
(CHEMBL3902818)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C28H21F4N3O2/c1-17(34-27(36)28(30,31)32)26(20-7-6-18-4-2-3-5-19(18)14-20)37-24-12-13-25-21(15-24)16-33-35(25)23-10-8-22(29)9-11-23/h2-17,26H,1H3,(H,34,36)/t17-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 0.0440n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 0.0490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203413
PNG
(CHEMBL3920760)
Show SMILES CCc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C |r|
Show InChI InChI=1S/C29H32FN3O2/c1-6-20-7-9-21(10-8-20)27(19(2)32-28(34)29(3,4)5)35-25-15-16-26-22(17-25)18-31-33(26)24-13-11-23(30)12-14-24/h7-19,27H,6H2,1-5H3,(H,32,34)/t19-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141371
PNG
(US8916600, 5 | US9738632, Example 5)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.0510n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141372
PNG
(US8916600, 6 | US9738632, Example 6)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 0.0560n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141379
PNG
(US8916600, 13 | US9738632, Example 13)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0620n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250126
PNG
(CHEMBL4094154)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0660n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250125
PNG
(CHEMBL4061359)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0730n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250114
PNG
(CHEMBL4104286)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203430
PNG
(CHEMBL3901719)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C |r|
Show InChI InChI=1S/C28H30FN3O3/c1-18(31-27(33)28(2,3)4)26(19-7-6-8-23(15-19)34-5)35-24-13-14-25-20(16-24)17-30-32(25)22-11-9-21(29)10-12-22/h6-18,26H,1-5H3,(H,31,33)/t18-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203435
PNG
(CHEMBL3940724)
Show SMILES C[C@H](NC(=O)c1noc(C)n1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H22FN5O3/c1-16(29-26(33)25-30-17(2)35-31-25)24(18-6-4-3-5-7-18)34-22-12-13-23-19(14-22)15-28-32(23)21-10-8-20(27)9-11-21/h3-16,24H,1-2H3,(H,29,33)/t16-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203423
PNG
(CHEMBL3960682)
Show SMILES C[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H22FN5O3/c1-16(29-25(33)26-31-30-17(2)34-26)24(18-6-4-3-5-7-18)35-22-12-13-23-19(14-22)15-28-32(23)21-10-8-20(27)9-11-21/h3-16,24H,1-2H3,(H,29,33)/t16-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.0900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM141379
PNG
(US8916600, 13 | US9738632, Example 13)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250115
PNG
(CHEMBL4086388)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.101n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250118
PNG
(CHEMBL4070346)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203419
PNG
(CHEMBL3915997)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203419
PNG
(CHEMBL3915997)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250126
PNG
(CHEMBL4094154)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.132n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(RAT)		BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250119
PNG
(CHEMBL4098641)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-9-22-17-44-18-45-28(22)15-20)46-25-10-11-26-23(14-25)16-37-40(26)24-6-3-5-21(13-24)31(42)39-12-4-7-27(39)30(36)41/h3,5-6,8-11,13-16,19,27,29H,4,7,12,17-18H2,1-2H3,(H2,36,41)(H,38,43)/t19-,27+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250116
PNG
(CHEMBL4066614)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCOCc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-24-19(11-17)14-35-15-36-24)37-22-8-9-23-18(12-22)13-31-33(23)21-6-4-20(28)5-7-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.156n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250112
PNG
(CHEMBL4072756)
Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141368
PNG
(US8916600, 2 | US8916600, 3 | US9738632, Example 2)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141375
PNG
(US8916600, 9 | US9738632, Example 9)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-42-18-43-28(22)14-20)44-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-41-17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203443
PNG
(CHEMBL3892759)
Show SMILES CCc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)CO |r|
Show InChI InChI=1S/C26H26FN3O3/c1-3-18-4-6-19(7-5-18)26(17(2)29-25(32)16-31)33-23-12-13-24-20(14-23)15-28-30(24)22-10-8-21(27)9-11-22/h4-15,17,26,31H,3,16H2,1-2H3,(H,29,32)/t17-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141367
PNG
(US8916600, 1 | US8916600, 4 | US9738632, Example 1)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250127
PNG
(CHEMBL4096557)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C31H31F2N5O4/c1-19(36-30(41)31(2,32)33)27(20-8-4-3-5-9-20)42-24-13-14-25-22(17-24)18-35-38(25)23-11-6-10-21(16-23)29(40)37-15-7-12-26(37)28(34)39/h3-6,8-11,13-14,16-19,26-27H,7,12,15H2,1-2H3,(H2,34,39)(H,36,41)/t19-,26+,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250118
PNG
(CHEMBL4070346)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203436
PNG
(CHEMBL3935790)
Show SMILES COc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C |r|
Show InChI InChI=1S/C28H30FN3O3/c1-18(31-27(33)28(2,3)4)26(19-6-12-23(34-5)13-7-19)35-24-14-15-25-20(16-24)17-30-32(25)22-10-8-21(29)9-11-22/h6-18,26H,1-5H3,(H,31,33)/t18-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM141372
PNG
(US8916600, 6 | US9738632, Example 6)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50250116
PNG
(CHEMBL4066614)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCOCc2c1 |r|
Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-24-19(11-17)14-35-15-36-24)37-22-8-9-23-18(12-22)13-31-33(23)21-6-4-20(28)5-7-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 0.322n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM141368
PNG
(US8916600, 2 | US8916600, 3 | US9738632, Example 2)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141379
PNG
(US8916600, 13 | US9738632, Example 13)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r|
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203422
PNG
(CHEMBL3937635)
Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141372
PNG
(US8916600, 6 | US9738632, Example 6)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 0.430n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203424
PNG
(CHEMBL3893393)
Show SMILES CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C23H23ClF4N2O2S/c1-4-33-12-22(31,23(26,27)28)21(15-10-11-18(32-3)20(25)19(15)24)30-17-7-5-6-16-14(17)9-8-13(2)29-16/h5-11,21,30-31H,4,12H2,1-3H3/t21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...

Bioorg Med Chem Lett 26: 5741-5748 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.052
BindingDB Entry DOI: 10.7270/Q2NP26D1
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50203419
PNG
(CHEMBL3915997)
Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50354850
PNG
(BUDESONIDE | US10869929, Compound Budesonide | US1...)
Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|
Show InChI InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM141368
PNG
(US8916600, 2 | US8916600, 3 | US9738632, Example 2)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...

J Med Chem 60: 8591-8605 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01215
BindingDB Entry DOI: 10.7270/Q2RX9FH8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 284 total )  |  Next  |  Last  >>
Jump to: