Found 38 hits of Enzyme Inhibition Constant Data 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)) | BDBM50195157
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3-me...)Show SMILES COc1ccc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:26,33| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-25-23-9-6-20-16-21(30)8-10-22(20)27(23)24(17-28(25,29)3)19-7-11-26(32-4)18(2)15-19/h7,11,15-16,23-25,31H,6,8-10,12,14,17H2,1-4H3/t23-,24+,25-,28-,29-/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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195143
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3,5-...)Show SMILES COc1c(C)cc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C30H36O3/c1-6-12-30(32)13-11-26-24-9-7-20-16-22(31)8-10-23(20)27(24)25(17-29(26,30)4)21-14-18(2)28(33-5)19(3)15-21/h14-16,24-26,32H,7-11,13,17H2,1-5H3/t24-,25+,26-,29-,30-/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195151
((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-pheny...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C30H33ClO3/c1-4-13-30(33)14-12-25-23-9-6-19-16-21(32)8-10-22(19)28(23)24(18-29(25,30)3)20-7-11-27(26(31)17-20)34-15-5-2/h5,7,11,16-17,23-25,33H,2,6,8-10,12,14-15,18H2,1,3H3/t23-,24+,25-,29-,30-/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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195145
((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-me...)Show SMILES CSc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C28H32O2S/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195160
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4'-methoxy-bip...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:32,39| Show InChI InChI=1S/C34H36O3/c1-4-18-34(36)19-17-31-29-15-11-25-20-26(35)12-16-28(25)32(29)30(21-33(31,34)2)24-7-5-22(6-8-24)23-9-13-27(37-3)14-10-23/h5-10,13-14,20,29-31,36H,11-12,15-17,19,21H2,1-3H3/t29-,30+,31-,33-,34-/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195158
((8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-ph...)Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(F)c1 |t:23,30| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-20-7-5-16-12-17(31)6-8-19(16)25(20)21(15-27(22,28)2)26-23(29)13-18(33-3)14-24(26)30/h12-14,20-22,32H,5-9,11,15H2,1-3H3/t20-,21-,22-,27-,28-/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195153
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-phen...)Show SMILES COc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32| Show InChI InChI=1S/C28H32O3/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195157
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3-me...)Show SMILES COc1ccc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:26,33| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-25-23-9-6-20-16-21(30)8-10-22(20)27(23)24(17-28(25,29)3)19-7-11-26(32-4)18(2)15-19/h7,11,15-16,23-25,31H,6,8-10,12,14,17H2,1-4H3/t23-,24+,25-,28-,29-/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
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
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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195155
(A-348441 | CHEMBL219684)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@H]21 |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-22-54(61)24-21-43-40-15-11-34-27-37(56)14-16-39(34)49(40)41(31-52(43,54)4)33-9-12-36(13-10-33)55(6)25-26-62-38-20-23-51(3)35(28-38)29-46(57)50-44-18-17-42(32(2)8-19-48(59)60)53(44,5)47(58)30-45(50)51/h9-10,12-13,27,32,35,38,40-47,50,57-58,61H,8,11,14-21,23-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195154
((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-ph...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(Oc2ccccc2)cc1 |c:18,t:11| Show InChI InChI=1S/C33H34O3/c1-3-18-33(35)19-17-30-28-15-11-23-20-24(34)12-16-27(23)31(28)29(21-32(30,33)2)22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-10,13-14,20,28-30,35H,11-12,15-17,19,21H2,1-2H3/t28-,29+,30-,32-,33-/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195148
((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-5-met...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C31H35ClO3/c1-5-12-31(34)13-11-26-24-9-7-20-16-22(33)8-10-23(20)28(24)25(18-30(26,31)4)21-15-19(3)29(27(32)17-21)35-14-6-2/h6,15-17,24-26,34H,2,7-11,13-14,18H2,1,3-4H3/t24-,25+,26-,30-,31-/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195145
((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-me...)Show SMILES CSc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C28H32O2S/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195149
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)-c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)cc1 |c:18,t:11| Show InChI InChI=1S/C59H76O8/c1-6-25-59(65)27-24-48-45-18-14-39-30-41(60)15-19-44(39)54(45)46(34-57(48,59)4)38-10-8-36(9-11-38)37-12-16-42(17-13-37)66-28-29-67-43-23-26-56(3)40(31-43)32-51(61)55-49-21-20-47(35(2)7-22-53(63)64)58(49,5)52(62)33-50(55)56/h8-13,16-17,30,35,40,43,45-52,55,61-62,65H,7,14-15,18-24,26-29,31-34H2,1-5H3,(H,63,64)/t35-,40+,43+,45+,46-,47-,48+,49+,50+,51-,52+,55+,56+,57+,58-,59+/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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195143
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3,5-...)Show SMILES COc1c(C)cc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C30H36O3/c1-6-12-30(32)13-11-26-24-9-7-20-16-22(31)8-10-23(20)27(24)25(17-29(26,30)4)21-14-18(2)28(33-5)19(3)15-21/h14-16,24-26,32H,7-11,13,17H2,1-5H3/t24-,25+,26-,29-,30-/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195146
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C54H74O8/c1-7-20-54(60)22-19-42-39-12-9-34-26-36(55)11-13-38(34)49(39)40(30-52(42,54)5)33-10-16-46(32(3)25-33)62-24-23-61-37-18-21-51(4)35(27-37)28-45(56)50-43-15-14-41(31(2)8-17-48(58)59)53(43,6)47(57)29-44(50)51/h10,16,25-26,31,35,37,39-45,47,50,56-57,60H,8-9,11-15,17-19,21-24,27-30H2,1-6H3,(H,58,59)/t31-,35+,37+,39+,40-,41-,42+,43+,44+,45-,47+,50+,51+,52+,53-,54+/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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195144
((8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-ph...)Show SMILES COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195160
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4'-methoxy-bip...)Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:32,39| Show InChI InChI=1S/C34H36O3/c1-4-18-34(36)19-17-31-29-15-11-25-20-26(35)12-16-28(25)32(29)30(21-33(31,34)2)24-7-5-22(6-8-24)23-9-13-27(37-3)14-10-23/h5-10,13-14,20,29-31,36H,11-12,15-17,19,21H2,1-3H3/t29-,30+,31-,33-,34-/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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195147
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-hydroxy-3-me...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(O)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C28H32O3/c1-4-12-28(31)13-11-24-22-8-5-19-15-20(29)7-9-21(19)26(22)23(16-27(24,28)3)18-6-10-25(30)17(2)14-18/h6,10,14-15,22-24,30-31H,5,7-9,11,13,16H2,1-3H3/t22-,23+,24-,27-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195151
((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-pheny...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C30H33ClO3/c1-4-13-30(33)14-12-25-23-9-6-19-16-21(32)8-10-22(19)28(23)24(18-29(25,30)3)20-7-11-27(26(31)17-20)34-15-5-2/h5,7,11,16-17,23-25,33H,2,6,8-10,12,14-15,18H2,1,3H3/t23-,24+,25-,29-,30-/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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195150
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C55H76O8/c1-8-19-55(61)21-18-43-40-12-10-34-26-37(56)11-13-39(34)49(40)41(30-53(43,55)6)35-24-32(3)51(33(4)25-35)63-23-22-62-38-17-20-52(5)36(27-38)28-46(57)50-44-15-14-42(31(2)9-16-48(59)60)54(44,7)47(58)29-45(50)52/h24-26,31,36,38,40-47,50,57-58,61H,9-18,20-23,27-30H2,1-7H3,(H,59,60)/t31-,36+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,52+,53+,54-,55+/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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
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
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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195152
((8S,11S,13S,14S,17S)-11-(2-fluoro-4,6-dimethoxy-ph...)Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(OC)c1 |t:23,30| Show InChI InChI=1S/C29H33FO4/c1-5-11-29(32)12-10-23-21-8-6-17-13-18(31)7-9-20(17)26(21)22(16-28(23,29)2)27-24(30)14-19(33-3)15-25(27)34-4/h13-15,21-23,32H,6-10,12,16H2,1-4H3/t21-,22-,23-,28-,29-/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 | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195153
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-phen...)Show SMILES COc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32| Show InChI InChI=1S/C28H32O3/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195159
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-2-me...)Show SMILES COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(C)c1 |t:22,29| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-26-24-9-6-19-16-20(30)7-10-23(19)27(24)25(17-28(26,29)3)22-11-8-21(32-4)15-18(22)2/h8,11,15-16,24-26,31H,6-7,9-10,12,14,17H2,1-4H3/t24-,25+,26-,28-,29-/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195155
(A-348441 | CHEMBL219684)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@H]21 |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-22-54(61)24-21-43-40-15-11-34-27-37(56)14-16-39(34)49(40)41(31-52(43,54)4)33-9-12-36(13-10-33)55(6)25-26-62-38-20-23-51(3)35(28-38)29-46(57)50-44-18-17-42(32(2)8-19-48(59)60)53(44,5)47(58)30-45(50)51/h9-10,12-13,27,32,35,38,40-47,50,57-58,61H,8,11,14-21,23-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195158
((8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-ph...)Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(F)c1 |t:23,30| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-20-7-5-16-12-17(31)6-8-19(16)25(20)21(15-27(22,28)2)26-23(29)13-18(33-3)14-24(26)30/h12-14,20-22,32H,5-9,11,15H2,1-3H3/t20-,21-,22-,27-,28-/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 | 10.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195144
((8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-ph...)Show SMILES COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195154
((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-ph...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(Oc2ccccc2)cc1 |c:18,t:11| Show InChI InChI=1S/C33H34O3/c1-3-18-33(35)19-17-30-28-15-11-23-20-24(34)12-16-27(23)31(28)29(21-32(30,33)2)22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-10,13-14,20,28-30,35H,11-12,15-17,19,21H2,1-2H3/t28-,29+,30-,32-,33-/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 | 18.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195148
((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-5-met...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C31H35ClO3/c1-5-12-31(34)13-11-26-24-9-7-20-16-22(33)8-10-23(20)28(24)25(18-30(26,31)4)21-15-19(3)29(27(32)17-21)35-14-6-2/h6,15-17,24-26,34H,2,7-11,13-14,18H2,1,3-4H3/t24-,25+,26-,30-,31-/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 | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195149
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)-c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)cc1 |c:18,t:11| Show InChI InChI=1S/C59H76O8/c1-6-25-59(65)27-24-48-45-18-14-39-30-41(60)15-19-44(39)54(45)46(34-57(48,59)4)38-10-8-36(9-11-38)37-12-16-42(17-13-37)66-28-29-67-43-23-26-56(3)40(31-43)32-51(61)55-49-21-20-47(35(2)7-22-53(63)64)58(49,5)52(62)33-50(55)56/h8-13,16-17,30,35,40,43,45-52,55,61-62,65H,7,14-15,18-24,26-29,31-34H2,1-5H3,(H,63,64)/t35-,40+,43+,45+,46-,47-,48+,49+,50+,51-,52+,55+,56+,57+,58-,59+/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 | 23.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195147
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-hydroxy-3-me...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(O)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C28H32O3/c1-4-12-28(31)13-11-24-22-8-5-19-15-20(29)7-9-21(19)26(22)23(16-27(24,28)3)18-6-10-25(30)17(2)14-18/h6,10,14-15,22-24,30-31H,5,7-9,11,13,16H2,1-3H3/t22-,23+,24-,27-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195146
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C54H74O8/c1-7-20-54(60)22-19-42-39-12-9-34-26-36(55)11-13-38(34)49(39)40(30-52(42,54)5)33-10-16-46(32(3)25-33)62-24-23-61-37-18-21-51(4)35(27-37)28-45(56)50-43-15-14-41(31(2)8-17-48(58)59)53(43,6)47(57)29-44(50)51/h10,16,25-26,31,35,37,39-45,47,50,56-57,60H,8-9,11-15,17-19,21-24,27-30H2,1-6H3,(H,58,59)/t31-,35+,37+,39+,40-,41-,42+,43+,44+,45-,47+,50+,51+,52+,53-,54+/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 | 30.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195159
((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-2-me...)Show SMILES COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(C)c1 |t:22,29| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-26-24-9-6-19-16-20(30)7-10-23(19)27(24)25(17-28(26,29)3)22-11-8-21(32-4)15-18(22)2/h8,11,15-16,24-26,31H,6-7,9-10,12,14,17H2,1-4H3/t24-,25+,26-,28-,29-/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195152
((8S,11S,13S,14S,17S)-11-(2-fluoro-4,6-dimethoxy-ph...)Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(OC)c1 |t:23,30| Show InChI InChI=1S/C29H33FO4/c1-5-11-29(32)12-10-23-21-8-6-17-13-18(31)7-9-20(17)26(21)22(16-28(23,29)2)27-24(30)14-19(33-3)15-25(27)34-4/h13-15,21-23,32H,6-10,12,16H2,1-4H3/t21-,22-,23-,28-,29-/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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195161
((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-...)Show SMILES COc1cc(cc(OC)c1OC)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:29,36| Show InChI InChI=1S/C30H36O5/c1-6-12-30(32)13-11-24-22-9-7-18-14-20(31)8-10-21(18)27(22)23(17-29(24,30)2)19-15-25(33-3)28(35-5)26(16-19)34-4/h14-16,22-24,32H,7-11,13,17H2,1-5H3/t22-,23+,24-,29-,30-/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 | 60.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195150
((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C55H76O8/c1-8-19-55(61)21-18-43-40-12-10-34-26-37(56)11-13-39(34)49(40)41(30-53(43,55)6)35-24-32(3)51(33(4)25-35)63-23-22-62-38-17-20-52(5)36(27-38)28-46(57)50-44-15-14-42(31(2)9-16-48(59)60)54(44,7)47(58)29-45(50)52/h24-26,31,36,38,40-47,50,57-58,61H,9-18,20-23,27-30H2,1-7H3,(H,59,60)/t31-,36+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,52+,53+,54-,55+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50195156
((8S,11S,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-...)Show SMILES COc1cc(OC)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(OC)c1 |t:24,31| Show InChI InChI=1S/C30H36O5/c1-6-12-30(32)13-11-24-22-9-7-18-14-19(31)8-10-21(18)27(22)23(17-29(24,30)2)28-25(34-4)15-20(33-3)16-26(28)35-5/h14-16,22-24,32H,7-11,13,17H2,1-5H3/t22-,23-,24-,29-,30-/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 | 482 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
Bioorg Med Chem Lett 16: 6086-90 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.133
BindingDB Entry DOI: 10.7270/Q2H132TB |
More data for this
Ligand-Target Pair | |
Search and Browse
