Found 304 hits with Last Name = 'millham' and Initial = 'ml' 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 |
|---|
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344013
(CHEMBL1780094 | trans-(3R,5S)-N-((6-aminopyridin-2...)Show SMILES Cc1oc(nc1CN1C[C@@H](C[C@H](C1)c1ccccc1)C(=O)NCc1cccc(N)n1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N5O2/c1-20-26(33-29(36-20)22-11-6-3-7-12-22)19-34-17-23(21-9-4-2-5-10-21)15-24(18-34)28(35)31-16-25-13-8-14-27(30)32-25/h2-14,23-24H,15-19H2,1H3,(H2,30,32)(H,31,35)/t23-,24-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50081070
(CHEMBL3421892)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12 Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human PR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081073
(CHEMBL3421889)Show SMILES [H][C@@]12C[C@@](O)(c3ccccc3)[C@](C)(O)C[C@@]1(CC)c1ccc(O)cc1C=C2 |r,c:28| Show InChI InChI=1S/C23H26O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-13,18,24-26H,3,14-15H2,1-2H3/t18-,21-,22-,23-/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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081070
(CHEMBL3421892)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12 Show InChI InChI=1S/C23H19ClF4N2O4/c1-12-16-10-14(4-5-15(16)19(31)34-30-12)29-20(32)22(33,23(26,27)28)11-21(7-2-8-21)17-9-13(25)3-6-18(17)24/h3-6,9-10,33H,2,7-8,11H2,1H3,(H,29,32) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081069
(CHEMBL3421871)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r| Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081072
(CHEMBL3421890)Show SMILES [H][C@@]12C[C@@](O)(c3ccccc3)[C@](C)(O)C[C@@]1(CC)c1ccc(O)cc1C(C)=C2 |r,c:29| Show InChI InChI=1S/C24H28O3/c1-4-23-15-22(3,26)24(27,17-8-6-5-7-9-17)14-18(23)12-16(2)20-13-19(25)10-11-21(20)23/h5-13,18,25-27H,4,14-15H2,1-3H3/t18-,22-,23-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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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 |
TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081072
(CHEMBL3421890)Show SMILES [H][C@@]12C[C@@](O)(c3ccccc3)[C@](C)(O)C[C@@]1(CC)c1ccc(O)cc1C(C)=C2 |r,c:29| Show InChI InChI=1S/C24H28O3/c1-4-23-15-22(3,26)24(27,17-8-6-5-7-9-17)14-18(23)12-16(2)20-13-19(25)10-11-21(20)23/h5-13,18,25-27H,4,14-15H2,1-3H3/t18-,22-,23-,24-/m1/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081101
(CHEMBL3421879)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1nccs1 |r| Show InChI InChI=1S/C20H25NO3S/c1-3-19-12-18(2,23)20(24,17-21-8-9-25-17)11-14(19)5-4-13-10-15(22)6-7-16(13)19/h6-10,14,22-24H,3-5,11-12H2,1-2H3/t14-,18-,19-,20-/m1/s1 | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344014
(CHEMBL1779987 | trans-(3R,5S)-1-((5-methyl-2-pheny...)Show SMILES Cc1oc(nc1CN1C[C@@H](C[C@H](C1)c1ccccc1)C(=O)NCc1cccc(C)n1)-c1ccccc1 |r| Show InChI InChI=1S/C30H32N4O2/c1-21-10-9-15-27(32-21)17-31-29(35)26-16-25(23-11-5-3-6-12-23)18-34(19-26)20-28-22(2)36-30(33-28)24-13-7-4-8-14-24/h3-15,25-26H,16-20H2,1-2H3,(H,31,35)/t25-,26-/m1/s1 | Reactome pathway
KEGG
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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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390333
(CHEMBL2070733)Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4nccs4)CCO3)nnc12)C1CC1 |r| Show InChI InChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)/t11-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344015
(CHEMBL1780096 | trans-(3S,5S)-5-ethyl-1-((5-methyl...)Show SMILES CC[C@H]1C[C@@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1 |r| Show InChI InChI=1S/C26H32N4O2/c1-4-20-13-22(25(31)27-14-23-12-8-9-18(2)28-23)16-30(15-20)17-24-19(3)32-26(29-24)21-10-6-5-7-11-21/h5-12,20,22H,4,13-17H2,1-3H3,(H,27,31)/t20-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.955 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081068
(CHEMBL3421872)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@](O)(CC)[C@@](O)(C2)c1ccccc1 |r| Show InChI InChI=1S/C24H30O3/c1-3-22-16-23(26,4-2)24(27,18-8-6-5-7-9-18)15-19(22)11-10-17-14-20(25)12-13-21(17)22/h5-9,12-14,19,25-27H,3-4,10-11,15-16H2,1-2H3/t19-,22-,23-,24-/m1/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390334
(CHEMBL2070735)Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r| Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276129
((2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-...)Show SMILES CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r| Show InChI InChI=1S/C22H26O2/c1-2-22-14-21(24)19(15-6-4-3-5-7-15)13-17(22)9-8-16-12-18(23)10-11-20(16)22/h3-7,10-12,17,19,21,23-24H,2,8-9,13-14H2,1H3/t17-,19+,21+,22-/m1/s1 | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081063
(CHEMBL3421875)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H30O3/c1-4-23-15-22(3,26)24(27,18-8-5-16(2)6-9-18)14-19(23)10-7-17-13-20(25)11-12-21(17)23/h5-6,8-9,11-13,19,25-27H,4,7,10,14-15H2,1-3H3/t19-,22-,23-,24-/m1/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081101
(CHEMBL3421879)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1nccs1 |r| Show InChI InChI=1S/C20H25NO3S/c1-3-19-12-18(2,23)20(24,17-21-8-9-25-17)11-14(19)5-4-13-10-15(22)6-7-16(13)19/h6-10,14,22-24H,3-5,11-12H2,1-2H3/t14-,18-,19-,20-/m1/s1 | PDB
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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 |
TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276434
((2R,4aR,10aR)-4a-Propyl-2-prop-1-ynyl-1,2,3,4,4a,9...)Show SMILES CCC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r| Show InChI InChI=1S/C20H26O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h7-8,13,16,21-22H,4-6,10-12,14H2,1-2H3/t16-,19-,20-/m1/s1 | PDB
KEGG
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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 |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276127
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r| Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081079
(CHEMBL3421886)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)C#CC |r| Show InChI InChI=1S/C20H26O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h8-9,11,15,21-23H,5-7,12-13H2,1-3H3/t15-,18-,19-,20+/m1/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081062
(CHEMBL3421876)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,19-6-4-5-11-23-19)13-16(21)8-7-15-12-17(24)9-10-18(15)21/h4-6,9-12,16,24-26H,3,7-8,13-14H2,1-2H3/t16-,20-,21-,22-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081062
(CHEMBL3421876)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,19-6-4-5-11-23-19)13-16(21)8-7-15-12-17(24)9-10-18(15)21/h4-6,9-12,16,24-26H,3,7-8,13-14H2,1-2H3/t16-,20-,21-,22-/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390332
(CHEMBL2070732)Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4ccccn4)CCO3)nnc12)C(F)(F)F |r| Show InChI InChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1 | Reactome pathway
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081071
(CHEMBL3421891)Show SMILES [H][C@]12CC(=O)c3cc(OC(=O)c4ccccc4)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r| Show InChI InChI=1S/C30H30O5/c1-3-29-19-28(2,33)30(34,21-12-8-5-9-13-21)18-22(29)16-26(31)24-17-23(14-15-25(24)29)35-27(32)20-10-6-4-7-11-20/h4-15,17,22,33-34H,3,16,18-19H2,1-2H3/t22-,28-,29-,30-/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50344017
(1-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met...)Show SMILES Cc1oc(nc1CN1CCCC(C1)C(=O)NCc1cccc(C)n1)-c1ccccc1 Show InChI InChI=1S/C24H28N4O2/c1-17-8-6-12-21(26-17)14-25-23(29)20-11-7-13-28(15-20)16-22-18(2)30-24(27-22)19-9-4-3-5-10-19/h3-6,8-10,12,20H,7,11,13-16H2,1-2H3,(H,25,29) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8A |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50344016
(2-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met...)Show SMILES Cc1oc(nc1CN1CC(C(=O)NCc2cccc(C)n2)c2ccccc2C1)-c1ccccc1 Show InChI InChI=1S/C28H28N4O2/c1-19-9-8-13-23(30-19)15-29-27(33)25-17-32(16-22-12-6-7-14-24(22)25)18-26-20(2)34-28(31-26)21-10-4-3-5-11-21/h3-14,25H,15-18H2,1-2H3,(H,29,33) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8A |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
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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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50344018
(CHEMBL1779984 | trans-(3R,5R)-5-ethyl-1-((5-methyl...)Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1 |r| Show InChI InChI=1S/C26H32N4O2/c1-4-20-13-22(25(31)27-14-23-12-8-9-18(2)28-23)16-30(15-20)17-24-19(3)32-26(29-24)21-10-6-5-7-11-21/h5-12,20,22H,4,13-17H2,1-3H3,(H,27,31)/t20-,22-/m1/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8A |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50390334
(CHEMBL2070735)Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r| Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8A |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081079
(CHEMBL3421886)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)C#CC |r| Show InChI InChI=1S/C20H26O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h8-9,11,15,21-23H,5-7,12-13H2,1-3H3/t15-,18-,19-,20+/m1/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344019
(CHEMBL1780085 | trans-(3R,5R)-5-(methoxymethyl)-1-...)Show SMILES COC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCC1CCOCC1 |r| Show InChI InChI=1S/C25H35N3O4/c1-18-23(27-25(32-18)21-6-4-3-5-7-21)16-28-14-20(17-30-2)12-22(15-28)24(29)26-13-19-8-10-31-11-9-19/h3-7,19-20,22H,8-17H2,1-2H3,(H,26,29)/t20-,22-/m1/s1 | Reactome pathway
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| n/a | n/a | 1.96 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081095
(CHEMBL3421885)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)\C=C\C |r| Show InChI InChI=1S/C20H28O3/c1-4-10-20(23)12-15-7-6-14-11-16(21)8-9-17(14)19(15,5-2)13-18(20,3)22/h4,8-11,15,21-23H,5-7,12-13H2,1-3H3/b10-4+/t15-,18-,19-,20+/m1/s1 | PDB
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| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276438
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r| Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081075
(CHEMBL3421887)Show SMILES [H][C@]12CC(=O)c3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r| Show InChI InChI=1S/C23H26O4/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)11-20(25)18-12-17(24)9-10-19(18)22/h4-10,12,16,24,26-27H,3,11,13-14H2,1-2H3/t16-,21-,22-,23-/m1/s1 | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276126
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r| Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1 | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344020
(CHEMBL1780116 | trans-(3R,5R)-5-ethyl-1-((5-methyl...)Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NC[C@H]1CCCO1 |r| Show InChI InChI=1S/C24H33N3O3/c1-3-18-12-20(23(28)25-13-21-10-7-11-29-21)15-27(14-18)16-22-17(2)30-24(26-22)19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,3,7,10-16H2,1-2H3,(H,25,28)/t18-,20-,21-/m1/s1 | Reactome pathway
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| n/a | n/a | 2.91 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276437
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r| Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344021
(CHEMBL1779988 | trans-(3R,5R)-5-(methoxymethyl)-1-...)Show SMILES COC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1 |r| Show InChI InChI=1S/C26H32N4O3/c1-18-8-7-11-23(28-18)13-27-25(31)22-12-20(17-32-3)14-30(15-22)16-24-19(2)33-26(29-24)21-9-5-4-6-10-21/h4-11,20,22H,12-17H2,1-3H3,(H,27,31)/t20-,22-/m1/s1 | Reactome pathway
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276472
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r| Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276171
((2R,4aS,10aR)-4a-Propenyl-2-prop-1-ynyl-1,2,3,4,4a...)Show SMILES C\C=C\[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r| Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,10,13,16,21-22H,5-6,11-12,14H2,1-2H3/b10-4+/t16-,19-,20-/m1/s1 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081069
(CHEMBL3421871)Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r| Show InChI InChI=1S/C23H28O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-8,11-13,18,24-26H,3,9-10,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
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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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390373
(CHEMBL2070914)Show InChI InChI=1S/C17H18N6O/c18-15-14-17(20-16(19-15)11-5-6-11)23(22-21-14)9-13-12-4-2-1-3-10(12)7-8-24-13/h1-4,11,13H,5-9H2,(H2,18,19,20) | Reactome pathway
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| n/a | n/a | 3.63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276128
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r| Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human GR |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50276128
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r| Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Binding affinity to human glucocorticoid receptor |
J Med Chem 52: 1731-43 (2009)
Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344022
(CHEMBL1780100 | trans-(3S,5S)-5-(3-methyl-1,2,4-ox...)Show SMILES Cc1noc(n1)[C@H]1C[C@@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1 |r| Show InChI InChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 3.86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344023
(CHEMBL1780089 | trans-(3R,5R)-5-(3-methyl-1,2,4-ox...)Show SMILES Cc1noc(n1)[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1 |r| Show InChI InChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m1/s1 | Reactome pathway
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50081073
(CHEMBL3421889)Show SMILES [H][C@@]12C[C@@](O)(c3ccccc3)[C@](C)(O)C[C@@]1(CC)c1ccc(O)cc1C=C2 |r,c:28| Show InChI InChI=1S/C23H26O3/c1-3-22-15-21(2,25)23(26,17-7-5-4-6-8-17)14-18(22)10-9-16-13-19(24)11-12-20(16)22/h4-13,18,24-26H,3,14-15H2,1-2H3/t18-,21-,22-,23-/m1/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL... |
J Med Chem 58: 2658-77 (2015)
Article DOI: 10.1021/jm501601b
BindingDB Entry DOI: 10.7270/Q2GM891C |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50390335
(CHEMBL2070736)Show SMILES CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc34)C2)n1 |r| Show InChI InChI=1S/C16H22N8OS/c1-3-11-9-26-13(20-11)8-23-4-5-25-12(6-23)7-24-16-14(21-22-24)15(17)18-10(2)19-16/h9,12H,3-8H2,1-2H3,(H2,17,18,19)/t12-/m1/s1 | Reactome pathway
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells |
Bioorg Med Chem Lett 22: 5721-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344024
(CHEMBL1780097 | trans-(3S,5S)-5-(methoxymethyl)-1-...)Show SMILES COC[C@H]1C[C@@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1 |r| Show InChI InChI=1S/C26H32N4O3/c1-18-8-7-11-23(28-18)13-27-25(31)22-12-20(17-32-3)14-30(15-22)16-24-19(2)33-26(29-24)21-9-5-4-6-10-21/h4-11,20,22H,12-17H2,1-3H3,(H,27,31)/t20-,22-/m0/s1 | Reactome pathway
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B
(Homo sapiens (Human)) | BDBM50344025
(CHEMBL1780105 | trans-(3R,5R)-5-(methoxymethyl)-1-...)Show SMILES COC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NC[C@H]1CCCO1 |r| Show InChI InChI=1S/C24H33N3O4/c1-17-22(26-24(31-17)19-7-4-3-5-8-19)15-27-13-18(16-29-2)11-20(14-27)23(28)25-12-21-9-6-10-30-21/h3-5,7-8,18,20-21H,6,9-16H2,1-2H3,(H,25,28)/t18-,20-,21-/m1/s1 | Reactome pathway
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| n/a | n/a | 4.36 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDE8B |
Bioorg Med Chem Lett 21: 3095-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.022
BindingDB Entry DOI: 10.7270/Q20002F8 |
More data for this
Ligand-Target Pair | |
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