Found 36 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50045018 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Glucocorticoid receptor
(Homo sapiens (Human)) | 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
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041902
(CHEMBL3358925)Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C27H26F4N2O/c1-17-9-10-20(28)13-22(17)25(2,3)16-26(34,27(29,30)31)14-21-11-19-12-23(32-15-24(19)33-21)18-7-5-4-6-8-18/h4-13,15,33-34H,14,16H2,1-3H3 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041957
(CHEMBL3358935)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C25H29F4N3O3/c1-23(2,19-12-17(26)4-5-21(19)34-3)15-24(33,25(27,28)29)13-18-10-16-11-22(30-14-20(16)31-18)32-6-8-35-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041973
(CHEMBL3358937)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O | PDB
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041907
(CHEMBL3358928)Show SMILES CC(C)Oc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1 Show InChI InChI=1S/C24H28F4N2O2/c1-14(2)32-21-9-16-8-18(30-20(16)12-29-21)11-23(31,24(26,27)28)13-22(4,5)19-10-17(25)7-6-15(19)3/h6-10,12,14,30-31H,11,13H2,1-5H3 | PDB
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041908
(CHEMBL3358929)Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C25H29F4N3O2/c1-16-4-5-18(26)12-20(16)23(2,3)15-24(33,25(27,28)29)13-19-10-17-11-22(30-14-21(17)31-19)32-6-8-34-9-7-32/h4-5,10-12,14,31,33H,6-9,13,15H2,1-3H3 | PDB
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041972
(CHEMBL3352882)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1C(N)=O | PDB
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antibodypedia
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| CHEMBL
PC cid
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041897
(CHEMBL3358921)Show SMILES Cc1c(CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)[nH]c2cnccc12 Show InChI InChI=1S/C22H24F4N2O/c1-13-5-6-15(23)9-17(13)20(3,4)12-21(29,22(24,25)26)10-18-14(2)16-7-8-27-11-19(16)28-18/h5-9,11,28-29H,10,12H2,1-4H3 | PDB
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041974
(CHEMBL3358938)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(N)(=O)=O | PDB
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041911
(CHEMBL3358932)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H28F3N3O2/c1-22(2,18-6-4-3-5-7-18)16-23(31,24(25,26)27)14-19-12-17-13-21(28-15-20(17)29-19)30-8-10-32-11-9-30/h3-7,12-13,15,29,31H,8-11,14,16H2,1-2H3 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041954
(CHEMBL3358933)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1 Show InChI InChI=1S/C24H27F4N3O2/c1-22(2,17-4-3-5-18(25)12-17)15-23(32,24(26,27)28)13-19-10-16-11-21(29-14-20(16)30-19)31-6-8-33-9-7-31/h3-5,10-12,14,30,32H,6-9,13,15H2,1-2H3 | PDB
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041819
(CHEMBL3358947)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(Cl)cc1C(N)=O | PDB
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| 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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041896
(CHEMBL3358954)Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r| Show InChI InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041816
(CHEMBL3358944)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(C)(=O)=O | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041903
(CHEMBL3358926)Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F Show InChI InChI=1S/C21H23F4N3O/c1-12-4-5-14(22)8-16(12)19(2,3)11-20(29,21(23,24)25)9-15-6-13-7-18(26)27-10-17(13)28-15/h4-8,10,28-29H,9,11H2,1-3H3,(H2,26,27) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50326956
(1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-meth...)Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F Show InChI InChI=1S/C21H22F4N2O/c1-13-4-5-15(22)9-17(13)19(2,3)12-20(28,21(23,24)25)10-16-8-14-6-7-26-11-18(14)27-16/h4-9,11,27-28H,10,12H2,1-3H3 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041904
(CHEMBL3358927)Show SMILES CN(C)c1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1 Show InChI InChI=1S/C23H27F4N3O/c1-14-6-7-16(24)10-18(14)21(2,3)13-22(31,23(25,26)27)11-17-8-15-9-20(30(4)5)28-12-19(15)29-17/h6-10,12,29,31H,11,13H2,1-5H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041893
(CHEMBL3358953)Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r| Show InChI InChI=1S/C23H26F3N3O4S/c1-4-34(32,33)19-10-14-9-15(29-18(14)12-28-19)11-22(31,23(24,25)26)13-21(2,3)17-8-6-5-7-16(17)20(27)30/h5-10,12,29,31H,4,11,13H2,1-3H3,(H2,27,30)/t22-/m0/s1 | PDB
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PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041820
(CHEMBL3358948)Show SMILES Cc1ccc(c(c1)C(N)=O)C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F | PDB
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PC cid
PC sid
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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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041890
(CHEMBL3358950)Show SMILES CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 Show InChI InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31) | PDB
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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
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041955
(CHEMBL3358934)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C24H27F4N3O2/c1-22(2,17-3-5-18(25)6-4-17)15-23(32,24(26,27)28)13-19-11-16-12-21(29-14-20(16)30-19)31-7-9-33-10-8-31/h3-6,11-12,14,30,32H,7-10,13,15H2,1-2H3 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041971
(CHEMBL3358936)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(O)c1 | PDB
KEGG
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UniChem
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PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041975
(CHEMBL3358939)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)C(N)=O | PDB
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UniChem
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PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041898
(CHEMBL3358922)Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F Show InChI InChI=1S/C22H24F4N2O/c1-13-5-6-15(23)7-18(13)20(3,4)12-21(29,22(24,25)26)9-16-8-17-14(2)10-27-11-19(17)28-16/h5-8,10-11,28-29H,9,12H2,1-4H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041818
(CHEMBL3358946)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1C(N)=O | PDB
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| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041976
(CHEMBL3358940)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041815
(CHEMBL3358942)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1C(N)=O | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041821
(CHEMBL3358949)Show SMILES CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1 | PDB
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UniChem
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PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041899
(CHEMBL3358923)Show SMILES Cc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1 Show InChI InChI=1S/C22H24F4N2O/c1-13-5-6-16(23)9-18(13)20(3,4)12-21(29,22(24,25)26)10-17-8-15-7-14(2)27-11-19(15)28-17/h5-9,11,28-29H,10,12H2,1-4H3 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041817
(CHEMBL3358945)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(N)(=O)=O | PDB
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| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041909
(CHEMBL3358930)Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C22H23F4N3O2/c1-12-4-5-14(23)8-16(12)20(2,3)11-21(31,22(24,25)26)9-15-6-13-7-17(19(27)30)28-10-18(13)29-15/h4-8,10,29,31H,9,11H2,1-3H3,(H2,27,30) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041891
(CHEMBL3358951)Show SMILES CC(C)S(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 Show InChI InChI=1S/C24H27F4N3O4S/c1-13(2)36(34,35)20-8-14-7-16(31-19(14)11-30-20)10-23(33,24(26,27)28)12-22(3,4)18-6-5-15(25)9-17(18)21(29)32/h5-9,11,13,31,33H,10,12H2,1-4H3,(H2,29,32) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041892
(CHEMBL3358952)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1cccc2CCS(=O)(=O)c12 Show InChI InChI=1S/C23H25F3N2O5S2/c1-21(2,17-6-4-5-14-7-8-35(32,33)20(14)17)13-22(29,23(24,25)26)11-16-9-15-10-19(34(3,30)31)27-12-18(15)28-16/h4-6,9-10,12,28-29H,7-8,11,13H2,1-3H3 | PDB
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PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041900
(CHEMBL3358924)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C23H26F4N2O2/c1-13-8-15-9-17(29-20(15)14(2)28-13)11-22(30,23(25,26)27)12-21(3,4)18-10-16(24)6-7-19(18)31-5/h6-10,29-30H,11-12H2,1-5H3 | PDB
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PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041814
(CHEMBL3358941)Show SMILES CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O | PDB
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PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50041910
(CHEMBL3358931)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H24F4N2O4S/c1-20(2,16-9-14(23)5-6-18(16)32-3)12-21(29,22(24,25)26)10-15-7-13-8-19(33(4,30)31)27-11-17(13)28-15/h5-9,11,28-29H,10,12H2,1-4H3 | PDB
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PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production |
ACS Med Chem Lett 5: 1318-23 (2014)
Article DOI: 10.1021/ml500387y
BindingDB Entry DOI: 10.7270/Q2639RCZ |
More data for this
Ligand-Target Pair | |
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