Found 9761 hits with Last Name = 'gilmore' and Initial = 'jl' 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 |
|---|
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50183715
(CHEMBL207305 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O5/c1-17-14-19(21-4-2-3-5-22(21)26-17)16-33-20-8-6-18(7-9-20)24(30)27-25(15-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of porcine TACE |
Bioorg Med Chem Lett 16: 2699-704 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.015
BindingDB Entry DOI: 10.7270/Q2TB16H3 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440105
(CHEMBL2426114)Show SMILES CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H26FN3O2S/c1-25(2,17-28-32(3,30)31)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-27-29(23)22-12-10-21(26)11-13-22/h4-16,24,28H,17H2,1-3H3/t24-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
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PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440097
(CHEMBL2426118)Show SMILES CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F4N3O2S/c1-25(2,16-32-36(34,35)17-26(28,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-31-33(23)22-11-9-21(27)10-12-22/h3-15,24,32H,16-17H2,1-2H3/t24-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440104
(CHEMBL2426115)Show SMILES CCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FN3O2S/c1-4-33(31,32)29-18-26(2,3)25(19-8-6-5-7-9-19)20-10-15-24-21(16-20)17-28-30(24)23-13-11-22(27)12-14-23/h5-17,25,29H,4,18H2,1-3H3/t25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440096
(CHEMBL2426124)Show SMILES CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H25F4N3O/c1-26(2,17-32-24(35)15-27(29,30)31)25(18-6-4-3-5-7-18)19-8-13-23-20(14-19)16-33-34(23)22-11-9-21(28)10-12-22/h3-14,16,25H,15,17H2,1-2H3,(H,32,35)/t25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440099
(CHEMBL2426121)Show SMILES CCS(=O)(=O)NCC(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H26FN3O2S/c1-3-32(30,31)28-16-18(2)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-27-29(24)23-12-10-22(26)11-13-23/h4-15,17-18,25,28H,3,16H2,1-2H3/t18?,25-/m0/s1 | PDB
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| CHEMBL
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PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440216
(CHEMBL2426648)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1cccnc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-7-4-3-5-8-17)18-10-11-21-19(13-18)14-28-31(21)20-9-6-12-26-15-20/h3-16,22H,1-2H3,(H,29,30,32)/t22-/m0/s1 | PDB
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440100
(CHEMBL2426120)Show SMILES CC(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H24FN3O2S/c1-17(15-27-31(2,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)16-26-28(23)22-11-9-21(25)10-12-22/h3-14,16-17,24,27H,15H2,1-2H3/t17?,24-/m0/s1 | PDB
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| CHEMBL
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PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440230
(CHEMBL2426639)Show SMILES CC(C)(C(Cc1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H24FN5OS/c1-27(2,25(34)31-26-32-29-17-35-26)23(14-18-6-4-3-5-7-18)19-8-13-24-20(15-19)16-30-33(24)22-11-9-21(28)10-12-22/h3-13,15-17,23H,14H2,1-2H3,(H,31,32,34) | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348410
(CHEMBL1801004)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C19H19N3O2S/c1-19(2,17(24)21-18-22-20-12-25-18)16(13-6-4-3-5-7-13)14-8-10-15(23)11-9-14/h3-12,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1 | PDB
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
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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| DrugBank
PDB
Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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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| DrugBank
PDB
Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440102
(CHEMBL2426117)Show SMILES CC(C)(CNS(=O)(=O)C1CC1)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H28FN3O2S/c1-27(2,18-30-34(32,33)24-13-14-24)26(19-6-4-3-5-7-19)20-8-15-25-21(16-20)17-29-31(25)23-11-9-22(28)10-12-23/h3-12,15-17,24,26,30H,13-14,18H2,1-2H3/t26-/m0/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440110
(CHEMBL2426128)Show SMILES CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)CC(F)(F)F |r| Show InChI InChI=1S/C25H29F4N3O/c1-16(2)11-21(24(3,4)15-30-23(33)13-25(27,28)29)17-5-10-22-18(12-17)14-31-32(22)20-8-6-19(26)7-9-20/h5-10,12,14,16,21H,11,13,15H2,1-4H3,(H,30,33)/t21-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440101
(CHEMBL2426119)Show SMILES CC(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H23F4N3O2S/c1-17(14-31-35(33,34)16-25(27,28)29)24(18-5-3-2-4-6-18)19-7-12-23-20(13-19)15-30-32(23)22-10-8-21(26)9-11-22/h2-13,15,17,24,31H,14,16H2,1H3/t17?,24-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440107
(CHEMBL2426111)Show SMILES CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C25H30F4N4O/c1-16(2)11-21(24(3,4)14-30-23(34)31-15-25(27,28)29)17-5-10-22-18(12-17)13-32-33(22)20-8-6-19(26)7-9-20/h5-10,12-13,16,21H,11,14-15H2,1-4H3,(H2,30,31,34)/t21-/m0/s1 | PDB
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440103
(CHEMBL2426116)Show SMILES CCCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H30FN3O2S/c1-4-16-34(32,33)30-19-27(2,3)26(20-8-6-5-7-9-20)21-10-15-25-22(17-21)18-29-31(25)24-13-11-23(28)12-14-24/h5-15,17-18,26,30H,4,16,19H2,1-3H3/t26-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440233
(CHEMBL2426636)Show SMILES CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30) | PDB
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440114
(CHEMBL2426123)Show SMILES CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/m0/s1 | PDB
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440112
(CHEMBL2426126)Show SMILES CC(C)(C)CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H34FN3O/c1-29(2,3)18-27(35)32-20-30(4,5)28(21-9-7-6-8-10-21)22-11-16-26-23(17-22)19-33-34(26)25-14-12-24(31)13-15-25/h6-17,19,28H,18,20H2,1-5H3,(H,32,35)/t28-/m0/s1 | PDB
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PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440214
(CHEMBL2426650)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccncc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-6-4-3-5-7-17)18-8-9-21-19(14-18)15-28-31(21)20-10-12-26-13-11-20/h3-16,22H,1-2H3,(H,29,30,32) | PDB
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PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440113
(CHEMBL2426125)Show SMILES CC(C)(C)C(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H32FN3O/c1-28(2,3)27(34)31-19-29(4,5)26(20-9-7-6-8-10-20)21-11-16-25-22(17-21)18-32-33(25)24-14-12-23(30)13-15-24/h6-18,26H,19H2,1-5H3,(H,31,34)/t26-/m0/s1 | PDB
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440109
(CHEMBL2426109)Show SMILES CC(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H23F4N3O/c1-17(15-31-24(34)14-26(28,29)30)25(18-5-3-2-4-6-18)19-7-12-23-20(13-19)16-32-33(23)22-10-8-21(27)9-11-22/h2-13,16-17,25H,14-15H2,1H3,(H,31,34)/t17?,25-/m0/s1 | PDB
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PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
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| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440232
(CHEMBL2426637)Show SMILES CC(C)C(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H24FN5OS/c1-14(2)20(23(3,4)21(30)27-22-28-25-13-31-22)15-5-10-19-16(11-15)12-26-29(19)18-8-6-17(24)7-9-18/h5-14,20H,1-4H3,(H,27,28,30) | PDB
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UniChem
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| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440220
(CHEMBL2426624)Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440109
(CHEMBL2426109)Show SMILES CC(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H23F4N3O/c1-17(15-31-24(34)14-26(28,29)30)25(18-5-3-2-4-6-18)19-7-12-23-20(13-19)16-32-33(23)22-10-8-21(27)9-11-22/h2-13,16-17,25H,14-15H2,1H3,(H,31,34)/t17?,25-/m0/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440115
(CHEMBL2426122)Show SMILES CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H26FN3O/c1-18(31)28-17-26(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)16-29-30(24)23-12-10-22(27)11-13-23/h4-16,25H,17H2,1-3H3,(H,28,31)/t25-/m0/s1 | PDB
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PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440246
(CHEMBL2426658)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2[nH]ncc2c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C20H19N5OS/c1-20(2,18(26)23-19-25-22-12-27-19)17(13-6-4-3-5-7-13)14-8-9-16-15(10-14)11-21-24-16/h3-12,17H,1-2H3,(H,21,24)(H,23,25,26)/t17-/m0/s1 | PDB
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| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440106
(CHEMBL2426113)Show SMILES CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)NC(C)(C)C |r| Show InChI InChI=1S/C27H37FN4O/c1-18(2)14-23(27(6,7)17-29-25(33)31-26(3,4)5)19-8-13-24-20(15-19)16-30-32(24)22-11-9-21(28)10-12-22/h8-13,15-16,18,23H,14,17H2,1-7H3,(H2,29,31,33)/t23-/m0/s1 | PDB
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PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM11548
(CHEMBL100570 | N-hydroxy-2-[(4-methoxy-1,1-bipheny...)Show SMILES COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1 Show InChI InChI=1S/C18H20N2O5S/c1-25-16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-20-17(18(21)19-22)10-11-26(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to MMP2 |
Bioorg Med Chem Lett 16: 1028-31 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440215
(CHEMBL2426649)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1cccnc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-7-4-3-5-8-17)18-10-11-21-19(13-18)14-28-31(21)20-9-6-12-26-15-20/h3-16,22H,1-2H3,(H,29,30,32)/t22-/m1/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440244
(CHEMBL2426660)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccccc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C26H23N5OS/c1-26(2,24(32)29-25-30-27-17-33-25)23(18-9-5-3-6-10-18)19-13-14-22-20(15-19)16-28-31(22)21-11-7-4-8-12-21/h3-17,23H,1-2H3,(H,29,30,32) | PDB
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| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440098
(CHEMBL2426112)Show SMILES CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H33FN4O/c1-28(2,3)33-27(35)31-19-29(4,5)26(20-9-7-6-8-10-20)21-11-16-25-22(17-21)18-32-34(25)24-14-12-23(30)13-15-24/h6-18,26H,19H2,1-5H3,(H2,31,33,35)/t26-/m0/s1 | PDB
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PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440243
(CHEMBL2426662)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m0/s1 | PDB
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PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440209
(CHEMBL2426656)Show SMILES CC(C)CCn1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H29N5OS/c1-17(2)12-13-30-21-11-10-19(14-20(21)15-27-30)22(18-8-6-5-7-9-18)25(3,4)23(31)28-24-29-26-16-32-24/h5-11,14-17,22H,12-13H2,1-4H3,(H,28,29,31) | PDB
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UniChem
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440219
(CHEMBL2426665)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h3-17,24H,1-2H3,(H,29,31,33)/t24-/m0/s1 | PDB
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PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440242
(CHEMBL2426663)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m1/s1 | PDB
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PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440212
(CHEMBL2426653)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(O)cc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C26H23N5O2S/c1-26(2,24(33)29-25-30-27-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-28-31(22)20-9-11-21(32)12-10-20/h3-16,23,32H,1-2H3,(H,29,30,33) | PDB
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PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440231
(CHEMBL2426638)Show SMILES CC(C)CC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C24H26FN5OS/c1-15(2)11-20(24(3,4)22(31)28-23-29-26-14-32-23)16-5-10-21-17(12-16)13-27-30(21)19-8-6-18(25)7-9-19/h5-10,12-15,20H,11H2,1-4H3,(H,28,29,31) | PDB
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PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440218
(CHEMBL2426644)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(28)10-12-22/h3-17,24H,1-2H3,(H,29,31,33)/t24-/m1/s1 | PDB
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PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440240
(CHEMBL2426647)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccccn1)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-8-4-3-5-9-17)18-11-12-20-19(14-18)15-28-31(20)21-10-6-7-13-26-21/h3-16,22H,1-2H3,(H,29,30,32) | PDB
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PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440213
(CHEMBL2426652)Show SMILES COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-32(23)21-10-12-22(34-3)13-11-21/h4-17,24H,1-3H3,(H,30,31,33) | PDB
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UniChem
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PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440234
(CHEMBL2426635)Show SMILES CCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nccs1 Show InChI InChI=1S/C23H23FN4OS/c1-4-19(23(2,3)21(29)27-22-25-11-12-30-22)15-5-10-20-16(13-15)14-26-28(20)18-8-6-17(24)7-9-18/h5-14,19H,4H2,1-3H3,(H,25,27,29) | PDB
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UniChem
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PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440108
(CHEMBL2426110)Show SMILES CC(C)(CNC(=O)NCC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H26F4N4O/c1-26(2,16-32-25(36)33-17-27(29,30)31)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-34-35(23)22-11-9-21(28)10-12-22/h3-15,24H,16-17H2,1-2H3,(H2,32,33,36)/t24-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 5448-51 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.085
BindingDB Entry DOI: 10.7270/Q22R3T2S |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440211
(CHEMBL2426654)Show SMILES CC(C)n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H25N5OS/c1-15(2)28-19-11-10-17(12-18(19)13-25-28)20(16-8-6-5-7-9-16)23(3,4)21(29)26-22-27-24-14-30-22/h5-15,20H,1-4H3,(H,26,27,29) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440223
(CHEMBL2426627)Show SMILES Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)s1 Show InChI InChI=1S/C28H25FN4OS/c1-18-16-30-27(35-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-31-33(24)23-12-10-22(29)11-13-23/h4-17,25H,1-3H3,(H,30,32,34) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50440225
(CHEMBL2426625)Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nn1nccn1 Show InChI InChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34) | PDB
KEGG
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UniChem
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ironwood Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5442-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.089
BindingDB Entry DOI: 10.7270/Q29888FB |
More data for this
Ligand-Target Pair | |
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