BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'oliver' and Initial = 's'   
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
Vitamin K epoxide reductase complex subunit 1


(Bos taurus)
BDBM50018515
PNG
(2-Fluoromethyl-2-hydroxy-3-methyl-3-(3,7,11,15-tet...)
Show SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1(C)C(=O)c2ccccc2C(=O)C1(O)CF
Show InChI InChI=1S/C32H49FO3/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)20-21-31(6)29(34)27-18-7-8-19-28(27)30(35)32(31,36)22-33/h7-8,18-20,23-25,36H,9-17,21-22H2,1-6H3/b26-20+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for vitamin K epoxide reductase


J Med Chem 32: 2138-41 (1989)


BindingDB Entry DOI: 10.7270/Q2513X7Z
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417875
PNG
(CHEMBL1668063)
Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.0794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.126n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417890
PNG
(CHEMBL1668080)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 0.200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417889
PNG
(CHEMBL1668079)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NCC(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-9-19(3)28(20(4)10-17)38(36,37)33-21(5)14-31-25-11-18(2)12-26-24(25)15-32-34(26)23-8-6-7-22(13-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.251n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417888
PNG
(CHEMBL1668078)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417875
PNG
(CHEMBL1668063)
Show SMILES CCN(C[C@](O)(CNc1cccc2n(ncc12)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C26H22Cl2F4N4O2/c1-2-35(24(37)23-19(27)5-3-6-20(23)28)15-25(38,26(30,31)32)14-33-21-7-4-8-22-18(21)13-34-36(22)17-11-9-16(29)10-12-17/h3-13,33,38H,2,14-15H2,1H3/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417891
PNG
(CHEMBL1668081)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 0.501n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417888
PNG
(CHEMBL1668078)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417883
PNG
(CHEMBL1668073)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NC2CC2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-12-20(3)29(21(4)13-18)37(35,36)33-22(5)16-30-27-14-19(2)15-28-26(27)17-31-34(28)25-10-8-24(9-11-25)32-23-6-7-23/h8-15,17,22-23,30,32-33H,6-7,16H2,1-5H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417876
PNG
(CHEMBL1668064)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)30-20(5)14-28-24-12-17(2)13-25-23(24)15-29-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.26n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417891
PNG
(CHEMBL1668081)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 1.58n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417882
PNG
(CHEMBL1668072)
Show SMILES CC(C)Nc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-8-10-25(11-9-24)34-28-15-20(4)14-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)12-19(3)13-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417890
PNG
(CHEMBL1668080)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417879
PNG
(CHEMBL1668068)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H29N5O2S/c1-17-10-19(3)27(20(4)11-17)35(33,34)31-21(5)15-29-25-12-18(2)13-26-24(25)16-30-32(26)23-8-6-22(14-28)7-9-23/h6-13,16,21,29,31H,15H2,1-5H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417896
PNG
(CHEMBL1668086)
Show SMILES CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)C3CC3)cc(C)cc12 |r|
Show InChI InChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417889
PNG
(CHEMBL1668079)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NCC(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-9-19(3)28(20(4)10-17)38(36,37)33-21(5)14-31-25-11-18(2)12-26-24(25)15-32-34(26)23-8-6-7-22(13-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417900
PNG
(CHEMBL1668090)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N(C)[C@H](C)C(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C25H32N6O4S/c1-15-10-22(27-13-16(2)29-36(34,35)20-8-9-20)21-14-28-31(23(21)11-15)19-7-5-6-18(12-19)25(33)30(4)17(3)24(26)32/h5-7,10-12,14,16-17,20,27,29H,8-9,13H2,1-4H3,(H2,26,32)/t16-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417884
PNG
(CHEMBL1668074)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NCC(N)=O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-10-19(3)28(20(4)11-17)38(36,37)33-21(5)14-31-25-12-18(2)13-26-24(25)15-32-34(26)23-8-6-22(7-9-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417902
PNG
(CHEMBL1668089)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N[C@H](C)C(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C24H30N6O4S/c1-14-9-21(26-12-15(2)29-35(33,34)19-7-8-19)20-13-27-30(22(20)10-14)18-6-4-5-17(11-18)24(32)28-16(3)23(25)31/h4-6,9-11,13,15-16,19,26,29H,7-8,12H2,1-3H3,(H2,25,31)(H,28,32)/t15-,16+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417876
PNG
(CHEMBL1668064)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)30-20(5)14-28-24-12-17(2)13-25-23(24)15-29-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417891
PNG
(CHEMBL1668081)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(N[C@@H](C)C(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-10-19(3)28(20(4)11-17)39(37,38)34-21(5)15-31-26-12-18(2)13-27-25(26)16-32-35(27)24-9-7-8-23(14-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417880
PNG
(CHEMBL1668069)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H32N4O4S2/c1-17-11-19(3)27(20(4)12-17)37(34,35)30-21(5)15-28-25-13-18(2)14-26-24(25)16-29-31(26)22-7-9-23(10-8-22)36(6,32)33/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417881
PNG
(CHEMBL1668071)
Show SMILES CNc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C27H33N5O2S/c1-17-11-19(3)27(20(4)12-17)35(33,34)31-21(5)15-29-25-13-18(2)14-26-24(25)16-30-32(26)23-9-7-22(28-6)8-10-23/h7-14,16,21,28-29,31H,15H2,1-6H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417897
PNG
(CHEMBL1668087)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)NCC(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417879
PNG
(CHEMBL1668068)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H29N5O2S/c1-17-10-19(3)27(20(4)11-17)35(33,34)31-21(5)15-29-25-12-18(2)13-26-24(25)16-30-32(26)23-8-6-22(14-28)7-9-23/h6-13,16,21,29,31H,15H2,1-5H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417898
PNG
(CHEMBL1668088)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N[C@@H](C)C(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C24H30N6O4S/c1-14-9-21(26-12-15(2)29-35(33,34)19-7-8-19)20-13-27-30(22(20)10-14)18-6-4-5-17(11-18)24(32)28-16(3)23(25)31/h4-6,9-11,13,15-16,19,26,29H,7-8,12H2,1-3H3,(H2,25,31)(H,28,32)/t15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417901
PNG
(CHEMBL1668065)
Show SMILES C[C@H](CNS(=O)(=O)c1c(C)cc(C)cc1C)Nc1cc(C)cc2n(ncc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)29-14-20(5)30-24-12-17(2)13-25-23(24)15-28-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,29-30H,14H2,1-5H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417887
PNG
(CHEMBL1668077)
Show SMILES CC(C)Nc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-9-8-10-25(15-24)34-28-14-20(4)13-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)11-19(3)12-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417883
PNG
(CHEMBL1668073)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NC2CC2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-12-20(3)29(21(4)13-18)37(35,36)33-22(5)16-30-27-14-19(2)15-28-26(27)17-31-34(28)25-10-8-24(9-11-25)32-23-6-7-23/h8-15,17,22-23,30,32-33H,6-7,16H2,1-5H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417897
PNG
(CHEMBL1668087)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)NCC(N)=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C23H28N6O4S/c1-14-8-20(25-11-15(2)28-34(32,33)18-6-7-18)19-12-27-29(21(19)9-14)17-5-3-4-16(10-17)23(31)26-13-22(24)30/h3-5,8-10,12,15,18,25,28H,6-7,11,13H2,1-2H3,(H2,24,30)(H,26,31)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417885
PNG
(CHEMBL1668075)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(N[C@H](C)C(N)=O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-11-19(3)28(20(4)12-17)39(37,38)34-21(5)15-31-26-13-18(2)14-27-25(26)16-32-35(27)24-9-7-23(8-10-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417895
PNG
(CHEMBL1668085)
Show SMILES CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)C(C)C)cc(C)cc12 |r|
Show InChI InChI=1S/C24H33N5O3S/c1-15(2)27-24(30)19-8-7-9-20(12-19)29-23-11-17(5)10-22(21(23)14-26-29)25-13-18(6)28-33(31,32)16(3)4/h7-12,14-16,18,25,28H,13H2,1-6H3,(H,27,30)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417886
PNG
(CHEMBL1668076)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(N[C@@H](C)C(N)=O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H36N6O3S/c1-17-11-19(3)28(20(4)12-17)39(37,38)34-21(5)15-31-26-13-18(2)14-27-25(26)16-32-35(27)24-9-7-23(8-10-24)33-22(6)29(30)36/h7-14,16,21-22,31,33-34H,15H2,1-6H3,(H2,30,36)/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 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417877
PNG
(CHEMBL1668066)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-9-18(3)26(19(4)10-16)34(32,33)30-20(5)14-28-24-11-17(2)12-25-23(24)15-29-31(25)22-8-6-7-21(27)13-22/h6-13,15,20,28,30H,14H2,1-5H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417888
PNG
(CHEMBL1668078)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NC2CC2)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-11-20(3)29(21(4)12-18)37(35,36)33-22(5)16-30-27-13-19(2)14-28-26(27)17-31-34(28)25-8-6-7-24(15-25)32-23-9-10-23/h6-8,11-15,17,22-23,30,32-33H,9-10,16H2,1-5H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417883
PNG
(CHEMBL1668073)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(NC2CC2)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C29H35N5O2S/c1-18-12-20(3)29(21(4)13-18)37(35,36)33-22(5)16-30-27-14-19(2)15-28-26(27)17-31-34(28)25-10-8-24(9-11-25)32-23-6-7-23/h8-15,17,22-23,30,32-33H,6-7,16H2,1-5H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.94n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417882
PNG
(CHEMBL1668072)
Show SMILES CC(C)Nc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-8-10-25(11-9-24)34-28-15-20(4)14-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)12-19(3)13-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417880
PNG
(CHEMBL1668069)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C27H32N4O4S2/c1-17-11-19(3)27(20(4)12-17)37(34,35)30-21(5)15-28-25-13-18(2)14-26-24(25)16-29-31(26)22-7-9-23(10-8-22)36(6,32)33/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417878
PNG
(CHEMBL1668067)
Show SMILES COc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C27H32N4O3S/c1-17-11-19(3)27(20(4)12-17)35(32,33)30-21(5)15-28-25-13-18(2)14-26-24(25)16-29-31(26)22-7-9-23(34-6)10-8-22/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417901
PNG
(CHEMBL1668065)
Show SMILES C[C@H](CNS(=O)(=O)c1c(C)cc(C)cc1C)Nc1cc(C)cc2n(ncc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29FN4O2S/c1-16-10-18(3)26(19(4)11-16)34(32,33)29-14-20(5)30-24-12-17(2)13-25-23(24)15-28-31(25)22-8-6-21(27)7-9-22/h6-13,15,20,29-30H,14H2,1-5H3/t20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417894
PNG
(CHEMBL1668084)
Show SMILES CCCS(=O)(=O)N[C@@H](C)CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)NC(C)C |r|
Show InChI InChI=1S/C24H33N5O3S/c1-6-10-33(31,32)28-18(5)14-25-22-11-17(4)12-23-21(22)15-26-29(23)20-9-7-8-19(13-20)24(30)27-16(2)3/h7-9,11-13,15-16,18,25,28H,6,10,14H2,1-5H3,(H,27,30)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417882
PNG
(CHEMBL1668072)
Show SMILES CC(C)Nc1ccc(cc1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12 |r|
Show InChI InChI=1S/C29H37N5O2S/c1-18(2)32-24-8-10-25(11-9-24)34-28-15-20(4)14-27(26(28)17-31-34)30-16-23(7)33-37(35,36)29-21(5)12-19(3)13-22(29)6/h8-15,17-18,23,30,32-33H,16H2,1-7H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417896
PNG
(CHEMBL1668086)
Show SMILES CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)C3CC3)cc(C)cc12 |r|
Show InChI InChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417889
PNG
(CHEMBL1668079)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(NCC(N)=O)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C28H34N6O3S/c1-17-9-19(3)28(20(4)10-17)38(36,37)33-21(5)14-31-25-11-18(2)12-26-24(25)15-32-34(26)23-8-6-7-22(13-23)30-16-27(29)35/h6-13,15,21,30-31,33H,14,16H2,1-5H3,(H2,29,35)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417896
PNG
(CHEMBL1668086)
Show SMILES CC(C)NC(=O)c1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)C3CC3)cc(C)cc12 |r|
Show InChI InChI=1S/C24H31N5O3S/c1-15(2)27-24(30)18-6-5-7-19(12-18)29-23-11-16(3)10-22(21(23)14-26-29)25-13-17(4)28-33(31,32)20-8-9-20/h5-7,10-12,14-15,17,20,25,28H,8-9,13H2,1-4H3,(H,27,30)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Center

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 99 total )  |  Next  |  Last  >>
Jump to: