Found 132 hits with Last Name = 'deleon' and Initial = 'r' 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 |
|---|
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374683
(CHEMBL258045)Show SMILES CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C25H28N6O3S/c1-30-9-5-17(6-10-30)27-22(33)18-13-35-24(28-18)29-21(32)16-4-3-15-11-20-23(34)26-14-25(7-2-8-25)31(20)19(15)12-16/h3-4,11-13,17H,2,5-10,14H2,1H3,(H,26,34)(H,27,33)(H,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374681
(CHEMBL257834)Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374682
(CHEMBL403154)Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1 Show InChI InChI=1S/C28H36N6O3S/c1-27(2,3)16-33-10-8-19(9-11-33)30-24(36)20-14-38-26(31-20)32-23(35)18-7-6-17-12-22-25(37)29-15-28(4,5)34(22)21(17)13-18/h6-7,12-14,19H,8-11,15-16H2,1-5H3,(H,29,37)(H,30,36)(H,31,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374679
(CHEMBL403258)Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C31H32N6O3S/c38-27(22-8-7-21-15-26-29(40)32-19-31(11-4-12-31)37(26)25(21)16-22)35-30-34-24(18-41-30)28(39)33-23-9-13-36(14-10-23)17-20-5-2-1-3-6-20/h1-3,5-8,15-16,18,23H,4,9-14,17,19H2,(H,32,40)(H,33,39)(H,34,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374687
(CHEMBL256194)Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(CC(C)(C)C)CC1 |w:1.0| Show InChI InChI=1S/C27H34N6O3S/c1-16-13-28-25(36)22-11-17-5-6-18(12-21(17)33(16)22)23(34)31-26-30-20(14-37-26)24(35)29-19-7-9-32(10-8-19)15-27(2,3)4/h5-6,11-12,14,16,19H,7-10,13,15H2,1-4H3,(H,28,36)(H,29,35)(H,30,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374688
(CHEMBL255991)Show SMILES CC(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:30.31| Show InChI InChI=1S/C26H32N6O3S/c1-15(2)13-31-8-6-19(7-9-31)28-24(34)20-14-36-26(29-20)30-23(33)18-5-4-17-10-22-25(35)27-12-16(3)32(22)21(17)11-18/h4-5,10-11,14-16,19H,6-9,12-13H2,1-3H3,(H,27,35)(H,28,34)(H,29,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374684
(CHEMBL270148)Show SMILES CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)n1 Show InChI InChI=1S/C24H28N6O3S/c1-24(2)13-25-22(33)19-10-14-4-5-15(11-18(14)30(19)24)20(31)28-23-27-17(12-34-23)21(32)26-16-6-8-29(3)9-7-16/h4-5,10-12,16H,6-9,13H2,1-3H3,(H,25,33)(H,26,32)(H,27,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374680
(CHEMBL429504)Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C30H32N6O3S/c1-30(2)18-31-28(39)25-14-20-8-9-21(15-24(20)36(25)30)26(37)34-29-33-23(17-40-29)27(38)32-22-10-12-35(13-11-22)16-19-6-4-3-5-7-19/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,39)(H,32,38)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374693
(CHEMBL271309)Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0| Show InChI InChI=1S/C23H26N6O3S/c1-13-11-24-22(32)19-9-14-3-4-15(10-18(14)29(13)19)20(30)27-23-26-17(12-33-23)21(31)25-16-5-7-28(2)8-6-16/h3-4,9-10,12-13,16H,5-8,11H2,1-2H3,(H,24,32)(H,25,31)(H,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374689
(CHEMBL256196)Show SMILES CCN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:28.29| Show InChI InChI=1S/C24H28N6O3S/c1-3-29-8-6-17(7-9-29)26-22(32)18-13-34-24(27-18)28-21(31)16-5-4-15-10-20-23(33)25-12-14(2)30(20)19(15)11-16/h4-5,10-11,13-14,17H,3,6-9,12H2,1-2H3,(H,25,33)(H,26,32)(H,27,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50201104
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219447
(2-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C23H25F4NO2/c1-14-8-15(2)18(12-28)16(9-14)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374686
(CHEMBL403286)Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1 |w:1.0| Show InChI InChI=1S/C29H30N6O3S/c1-18-15-30-28(38)25-13-20-7-8-21(14-24(20)35(18)25)26(36)33-29-32-23(17-39-29)27(37)31-22-9-11-34(12-10-22)16-19-5-3-2-4-6-19/h2-8,13-14,17-18,22H,9-12,15-16H2,1H3,(H,30,38)(H,31,37)(H,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374695
(CHEMBL246301)Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1 |w:1.0| Show InChI InChI=1S/C23H26N6O3S/c1-12-10-24-22(32)19-18(12)15-9-13(3-4-16(15)26-19)20(30)28-23-27-17(11-33-23)21(31)25-14-5-7-29(2)8-6-14/h3-4,9,11-12,14,26H,5-8,10H2,1-2H3,(H,24,32)(H,25,31)(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219457
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C23H25F4NO2/c1-14-8-16(9-15(2)18(14)12-28)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374692
(CHEMBL272072)Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCOCC1 |w:1.0| Show InChI InChI=1S/C22H23N5O4S/c1-12-10-23-21(30)18-8-13-2-3-14(9-17(13)27(12)18)19(28)26-22-25-16(11-32-22)20(29)24-15-4-6-31-7-5-15/h2-3,8-9,11-12,15H,4-7,10H2,1H3,(H,23,30)(H,24,29)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219444
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,28H,10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219449
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H21ClF4O3/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,11,28H,10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374685
(CHEMBL270150)Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H27N5O3S/c1-24(2)13-25-22(32)19-10-14-8-9-15(11-18(14)29(19)24)20(30)28-23-27-17(12-33-23)21(31)26-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,25,32)(H,26,31)(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374694
(CHEMBL409727)Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0| Show InChI InChI=1S/C23H25N5O3S/c1-13-11-24-22(31)19-9-14-7-8-15(10-18(14)28(13)19)20(29)27-23-26-17(12-32-23)21(30)25-16-5-3-2-4-6-16/h7-10,12-13,16H,2-6,11H2,1H3,(H,24,31)(H,25,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219471
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H22F4O3/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,12,27H,11,13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219453
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14| Show InChI InChI=1S/C25H23F4NO2/c1-23(2,21-12-18(26)10-11-22(21)32-3)15-24(31,25(27,28)29)13-16-8-9-17(14-30)20-7-5-4-6-19(16)20/h4-12,31H,13,15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50201104
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219446
(3-fluoro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219451
(3-chloro-5-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(c1)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,17-9-16(23)4-5-18(17)29-3)12-20(28,21(24,25)26)10-13-6-14(11-27)8-15(22)7-13/h4-9,28H,10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219467
(4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)8-9-18(17)28-3)13-20(27,21(23,24)25)11-14-4-6-15(12-26)7-5-14/h4-10,27H,11,13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid 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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374678
(CHEMBL246300)Show SMILES CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1 |w:1.0| Show InChI InChI=1S/C23H25N5O3S/c1-12-10-24-22(31)19-18(12)15-9-13(7-8-16(15)26-19)20(29)28-23-27-17(11-32-23)21(30)25-14-5-3-2-4-6-14/h7-9,11-12,14,26H,2-6,10H2,1H3,(H,24,31)(H,25,30)(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374691
(CHEMBL437033)Show SMILES CC1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)n1 |w:27.28,(10.96,-17.91,;12.5,-17.94,;13.29,-16.62,;14.82,-16.64,;15.57,-17.98,;14.79,-19.31,;13.25,-19.28,;17.12,-18,;18.02,-16.76,;17.4,-15.35,;19.56,-16.92,;20.32,-18.25,;21.83,-17.93,;21.99,-16.41,;23.32,-15.64,;24.66,-16.41,;24.65,-17.95,;25.99,-15.64,;25.99,-14.1,;27.32,-13.33,;28.65,-14.09,;30.12,-13.62,;31.03,-14.86,;32.56,-15.02,;33.47,-13.78,;33.18,-16.44,;32.26,-17.69,;30.73,-17.52,;29.82,-18.75,;30.11,-16.11,;28.65,-15.64,;27.32,-16.41,;20.59,-15.78,)| Show InChI InChI=1S/C24H27N5O3S/c1-13-3-7-17(8-4-13)26-22(31)18-12-33-24(27-18)28-21(30)16-6-5-15-9-20-23(32)25-11-14(2)29(20)19(15)10-16/h5-6,9-10,12-14,17H,3-4,7-8,11H2,1-2H3,(H,25,32)(H,26,31)(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219465
(2-(2,5-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F |w:13.14| Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,15-9-14(23)5-7-17(15)28-3)11-19(27,20(24,25)26)10-12-8-13(21)4-6-16(12)22/h4-9,27H,10-11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219468
(2-(3-chloro-5-methylbenzyl)-1,1,1-trifluoro-4-(5-f...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H23ClF4O2/c1-13-7-14(9-15(22)8-13)11-20(27,21(24,25)26)12-19(2,3)17-10-16(23)5-6-18(17)28-4/h5-10,27H,11-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50374690
(CHEMBL271863)Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NCC(C)(C)C |w:1.0| Show InChI InChI=1S/C22H25N5O3S/c1-12-9-23-20(30)17-7-13-5-6-14(8-16(13)27(12)17)18(28)26-21-25-15(10-31-21)19(29)24-11-22(2,3)4/h5-8,10,12H,9,11H2,1-4H3,(H,23,30)(H,24,29)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219452
(2-(3,5-dimethylbenzyl)-1,1,1-trifluoro-4-(5-fluoro...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C22H26F4O2/c1-14-8-15(2)10-16(9-14)12-21(27,22(24,25)26)13-20(3,4)18-11-17(23)6-7-19(18)28-5/h6-11,27H,12-13H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219445
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)c2ccccc12)C(F)(F)F |w:13.14| Show InChI InChI=1S/C25H26F4O2/c1-16-9-10-17(20-8-6-5-7-19(16)20)14-24(30,25(27,28)29)15-23(2,3)21-13-18(26)11-12-22(21)31-4/h5-13,30H,14-15H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219460
(2-(3,5-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,16-9-15(23)4-5-17(16)28-3)11-19(27,20(24,25)26)10-12-6-13(21)8-14(22)7-12/h4-9,27H,10-11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219466
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(C)ccc2ccccc12)C(F)(F)F |w:13.14| Show InChI InChI=1S/C25H26F4O2/c1-16-9-10-17-7-5-6-8-19(17)20(16)14-24(30,25(27,28)29)15-23(2,3)21-13-18(26)11-12-22(21)31-4/h5-13,30H,14-15H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219458
(2-(2,4-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F |w:13.14| Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,15-9-14(23)6-7-17(15)28-3)11-19(27,20(24,25)26)10-12-4-5-13(21)8-16(12)22/h4-9,27H,10-11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219459
(2-(2,3-dichlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1Cl)C(F)(F)F |w:13.14| Show InChI InChI=1S/C20H20Cl2F4O2/c1-18(2,14-9-13(23)7-8-16(14)28-3)11-19(27,20(24,25)26)10-12-5-4-6-15(21)17(12)22/h4-9,27H,10-11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219454
(3-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(c1)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H21F4NO2/c1-19(2,17-10-16(22)7-8-18(17)28-3)13-20(27,21(23,24)25)11-14-5-4-6-15(9-14)12-26/h4-10,27H,11,13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50374681
(CHEMBL257834)Show SMILES CC(C)(C)CN1CCC(CC1)NC(=O)c1csc(NC(=O)c2ccc3cc4C(=O)NCC5(CCC5)n4c3c2)n1 Show InChI InChI=1S/C29H36N6O3S/c1-28(2,3)17-34-11-7-20(8-12-34)31-25(37)21-15-39-27(32-21)33-24(36)19-6-5-18-13-23-26(38)30-16-29(9-4-10-29)35(23)22(18)14-19/h5-6,13-15,20H,4,7-12,16-17H2,1-3H3,(H,30,38)(H,31,37)(H,32,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CLK1 |
Bioorg Med Chem Lett 18: 938-41 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219469
(2-(2-chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-m...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Cl)C(F)(F)F |w:13.14| Show InChI InChI=1S/C20H21ClF4O2/c1-18(2,15-10-14(22)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)21/h4-10,26H,11-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219474
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F |w:13.14| Show InChI InChI=1S/C24H24F4O2/c1-22(2,20-13-18(25)11-12-21(20)30-3)15-23(29,24(26,27)28)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,29H,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50201104
(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F Show InChI InChI=1S/C23H22F4N2O5/c1-12-16-10-14(6-7-15(16)19(30)34-29-12)28-20(31)22(32,23(25,26)27)11-21(2,3)17-9-13(24)5-8-18(17)33-4/h5-10,32H,11H2,1-4H3,(H,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50219444
(3-chloro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20ClF4NO2/c1-19(2,16-9-15(23)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)22/h4-9,28H,10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219475
(2-(2-bromobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-me...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F |w:13.14| Show InChI InChI=1S/C20H21BrF4O2/c1-18(2,15-10-14(22)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)21/h4-10,26H,11-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50219452
(2-(3,5-dimethylbenzyl)-1,1,1-trifluoro-4-(5-fluoro...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C22H26F4O2/c1-14-8-15(2)10-16(9-14)12-21(27,22(24,25)26)13-20(3,4)18-11-17(23)6-7-19(18)28-5/h6-11,27H,12-13H2,1-5H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50219447
(2-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C23H25F4NO2/c1-14-8-15(2)18(12-28)16(9-14)11-22(29,23(25,26)27)13-21(3,4)19-10-17(24)6-7-20(19)30-5/h6-10,29H,11,13H2,1-5H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50219448
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F |w:13.14| Show InChI InChI=1S/C24H24F4O2/c1-22(2,20-13-19(25)10-11-21(20)30-3)15-23(29,24(26,27)28)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13,29H,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50219446
(3-fluoro-4-(4-(5-fluoro-2-methoxyphenyl)-2-hydroxy...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14| Show InChI InChI=1S/C21H20F5NO2/c1-19(2,16-9-15(22)6-7-18(16)29-3)12-20(28,21(24,25)26)10-14-5-4-13(11-27)8-17(14)23/h4-9,28H,10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell |
Bioorg Med Chem Lett 17: 5025-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.031
BindingDB Entry DOI: 10.7270/Q2G73FJ2 |
More data for this
Ligand-Target Pair | |
Search and Browse
