Found 274 hits with Last Name = 'angell' and Initial = 'dc' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417875
(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/a | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417888
(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/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/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
((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/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417883
(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/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417882
(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/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417896
(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/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a | n/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
((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
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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/a | n/a | 3.98 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417898
(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
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/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
(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
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417879
(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/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417881
(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/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417880
(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/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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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/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417901
(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
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/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
(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
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Antagonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition of dexamethasone-induce... |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417877
(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
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to PR |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417883
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417888
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417886
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417883
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417885
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50416100
(CHEMBL1086484)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F Show InChI InChI=1S/C27H19F4N3O2S/c28-21-7-10-23(11-8-21)34-26-13-6-19(14-20(26)16-32-34)24-12-9-22(15-25(24)27(29,30)31)33-37(35,36)17-18-4-2-1-3-5-18/h1-16,33H,17H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416082
(CHEMBL1085625)Show SMILES CCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H17F4N3O2S/c1-2-32(30,31)28-17-6-9-19(20(12-17)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)18-7-4-16(23)5-8-18/h3-13,28H,2H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416100
(CHEMBL1086484)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F Show InChI InChI=1S/C27H19F4N3O2S/c28-21-7-10-23(11-8-21)34-26-13-6-19(14-20(26)16-32-34)24-12-9-22(15-25(24)27(29,30)31)33-37(35,36)17-18-4-2-1-3-5-18/h1-16,33H,17H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Activity at GR in human A549 cells by NF-kappaB transrepression assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50416081
(CHEMBL1084360)Show SMILES CS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F4N3O2S/c1-31(29,30)27-16-5-8-18(19(11-16)21(23,24)25)13-2-9-20-14(10-13)12-26-28(20)17-6-3-15(22)4-7-17/h2-12,27H,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50417880
(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/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50417901
(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/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50416101
(CHEMBL1082780)Show SMILES Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccsc2)cc1C(F)(F)F Show InChI InChI=1S/C24H15F4N3O2S2/c25-17-2-5-19(6-3-17)31-23-8-1-15(11-16(23)13-29-31)21-7-4-18(12-22(21)24(26,27)28)30-35(32,33)20-9-10-34-14-20/h1-14,30H | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay |
J Med Chem 53: 4531-44 (2010)
Article DOI: 10.1021/jm100447c BindingDB Entry DOI: 10.7270/Q20003BB |
More data for this Ligand-Target Pair | |