Found 7050 hits with Last Name = 'yang' and Initial = 'b' 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)) | BDBM50348414
(CHEMBL1800984)Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.300 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348407
(CHEMBL1801006)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H19BrN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348412
(CHEMBL1800982)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C19H18BrN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348404
(CHEMBL1801009)Show SMILES CC(C)(C(c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25) | PDB
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| Article
PubMed
| 0.600 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348411
(CHEMBL1800981)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C19H18FN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.700 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348405
(CHEMBL1801008)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1 | PDB
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PubMed
| 0.700 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348415
(CHEMBL1800985)Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.800 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249196
((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...)Show SMILES C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.22,TLB:0:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:19:1:6.11:13.18,(17.34,-30.79,;18.69,-31.57,;19.19,-32.33,;19.2,-34.53,;19.19,-36.06,;19.17,-37.6,;17.33,-35.05,;15.99,-35.82,;14.65,-35.05,;14.65,-33.5,;15.98,-32.73,;17.3,-33.65,;18.69,-32.98,;20.22,-33.88,;21.5,-33.14,;22.78,-33.87,;22.78,-35.36,;21.5,-36.1,;20.22,-35.36,;19.44,-30.22,;18.66,-28.9,;20.99,-30.21,;21.74,-28.86,;23.28,-28.68,;23.59,-27.17,;22.24,-26.41,;21.11,-27.46,)| Show InChI InChI=1S/C22H17N3OS/c1-21(19(26)25-20-24-10-11-27-20)12-22(13-23)16-8-4-2-6-14(16)18(21)15-7-3-5-9-17(15)22/h2-11,18H,12H2,1H3,(H,24,25,26)/t18?,21-,22?/m1/s1 | PDB
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PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348408
(CHEMBL1801005)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(c1)C#N)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C21H19N3O2S/c1-21(2,19(26)24-20-23-10-11-27-20)18(14-6-4-3-5-7-14)15-8-9-17(25)16(12-15)13-22/h3-12,18,25H,1-2H3,(H,23,24,26)/t18-/m0/s1 | PDB
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PubMed
| 0.900 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249150
(8,15-dimethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2...)Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)| Show InChI InChI=1S/C22H20N2OS/c1-21-13-22(2,19(25)24-20-23-11-12-26-20)18(14-7-3-5-9-16(14)21)15-8-4-6-10-17(15)21/h3-12,18H,13H2,1-2H3,(H,23,24,25) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249150
(8,15-dimethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2...)Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)| Show InChI InChI=1S/C22H20N2OS/c1-21-13-22(2,19(25)24-20-23-11-12-26-20)18(14-7-3-5-9-16(14)21)15-8-4-6-10-17(15)21/h3-12,18H,13H2,1-2H3,(H,23,24,25) | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
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
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
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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Article
PubMed
| 1.10 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348401
(CHEMBL1801012)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1 | PDB
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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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
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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| 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249195
(8,15-dimethyl-N-(1,3,4-thiadiazol-2-yl)tetracyclo[...)Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)| Show InChI InChI=1S/C21H19N3OS/c1-20-11-21(2,18(25)23-19-24-22-12-26-19)17(13-7-3-5-9-15(13)20)14-8-4-6-10-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,23,24,25) | PDB
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249195
(8,15-dimethyl-N-(1,3,4-thiadiazol-2-yl)tetracyclo[...)Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)| Show InChI InChI=1S/C21H19N3OS/c1-20-11-21(2,18(25)23-19-24-22-12-26-19)17(13-7-3-5-9-15(13)20)14-8-4-6-10-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,23,24,25) | 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
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249193
((15R)-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6...)Show SMILES C[C@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.20,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(7.07,-47.06,;8.41,-47.83,;8.92,-48.6,;8.93,-50.8,;7.06,-51.32,;5.71,-52.09,;4.38,-51.32,;4.38,-49.77,;5.71,-49,;7.02,-49.92,;8.41,-49.25,;9.95,-50.15,;11.22,-49.41,;12.5,-50.14,;12.51,-51.63,;11.23,-52.37,;9.95,-51.63,;9.17,-46.49,;8.38,-45.16,;10.71,-46.47,;11.47,-45.13,;13.01,-44.95,;13.31,-43.44,;11.97,-42.68,;10.83,-43.72,)| Show InChI InChI=1S/C21H18N2OS/c1-21(19(24)23-20-22-10-11-25-20)12-17-13-6-2-4-8-15(13)18(21)16-9-5-3-7-14(16)17/h2-11,17-18H,12H2,1H3,(H,22,23,24)/t17?,18?,21-/m1/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
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
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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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348413
(CHEMBL1800983)Show SMILES Cc1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C20H21N3O2S/c1-13-11-15(9-10-16(13)24)17(14-7-5-4-6-8-14)20(2,3)18(25)22-19-23-21-12-26-19/h4-12,17,24H,1-3H3,(H,22,23,25)/t17-/m0/s1 | PDB
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| 2.20 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348400
(CHEMBL1801013)Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24) | PDB
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| 2.5 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348398
(CHEMBL1800979)Show InChI InChI=1S/C20H20N2OS/c1-20(2,18(23)22-19-21-13-14-24-19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17H,1-2H3,(H,21,22,23) | PDB
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| 2.90 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249106
(15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{...)Show SMILES CC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(-8.34,-14.91,;-7,-15.69,;-6.49,-16.46,;-6.48,-18.65,;-8.35,-19.17,;-9.7,-19.94,;-11.03,-19.17,;-11.03,-17.62,;-9.7,-16.85,;-8.39,-17.77,;-7,-17.11,;-5.46,-18,;-4.19,-17.26,;-2.91,-18,;-2.91,-19.48,;-4.19,-20.22,;-5.47,-19.48,;-6.24,-14.35,;-7.03,-13.02,;-4.7,-14.33,;-3.94,-12.98,;-2.4,-12.8,;-2.1,-11.29,;-3.44,-10.53,;-4.58,-11.58,)| Show InChI InChI=1S/C21H18N2OS/c1-21(19(24)23-20-22-10-11-25-20)12-17-13-6-2-4-8-15(13)18(21)16-9-5-3-7-14(16)17/h2-11,17-18H,12H2,1H3,(H,22,23,24) | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249143
(15-ethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2...)Show SMILES CCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:1:2:5.10:12.17,9:10:3.2:12.17,13:12:5.10:3.2,THB:18:2:5.10:12.17,(-9.76,-32.3,;-8.42,-31.52,;-7.08,-32.3,;-6.57,-33.07,;-6.56,-35.26,;-8.43,-35.78,;-9.77,-36.55,;-11.11,-35.78,;-11.1,-34.23,;-9.78,-33.46,;-8.47,-34.38,;-7.08,-33.71,;-5.54,-34.61,;-4.27,-33.87,;-2.99,-34.6,;-2.99,-36.09,;-4.27,-36.83,;-5.55,-36.09,;-6.32,-30.96,;-7.11,-29.63,;-4.78,-30.94,;-4.02,-29.6,;-2.49,-29.42,;-2.18,-27.91,;-3.53,-27.15,;-4.66,-28.19,)| Show InChI InChI=1S/C22H20N2OS/c1-2-22(20(25)24-21-23-11-12-26-21)13-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-12,18-19H,2,13H2,1H3,(H,23,24,25) | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249107
(15-methyl-N-(5-methyl-1,3-thiazol-2-yl)tetracyclo[...)Show SMILES Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)| Show InChI InChI=1S/C22H20N2OS/c1-13-12-23-21(26-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25) | PDB
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348406
(CHEMBL1801007)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m1/s1 | PDB
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| 4.60 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249192
(15-methyl-N-(1,3,4-thiadiazol-2-yl)tetracyclo[6.6....)Show SMILES CC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(-6.83,-47.54,;-5.48,-48.31,;-4.97,-49.08,;-4.97,-51.28,;-6.84,-51.8,;-8.18,-52.57,;-9.52,-51.8,;-9.51,-50.25,;-8.19,-49.48,;-6.87,-50.4,;-5.48,-49.73,;-3.95,-50.63,;-2.67,-49.89,;-1.39,-50.62,;-1.39,-52.11,;-2.67,-52.85,;-3.95,-52.11,;-4.73,-46.97,;-5.51,-45.64,;-3.18,-46.96,;-2.43,-45.61,;-.89,-45.43,;-.58,-43.92,;-1.93,-43.16,;-3.06,-44.21,)| Show InChI InChI=1S/C20H17N3OS/c1-20(18(24)22-19-23-21-11-25-19)10-16-12-6-2-4-8-14(12)17(20)15-9-5-3-7-13(15)16/h2-9,11,16-17H,10H2,1H3,(H,22,23,24) | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348399
(CHEMBL1800980)Show SMILES COc1ccc(cc1)C(c1ccccc1)C(C)(C)C(=O)Nc1nccs1 Show InChI InChI=1S/C21H22N2O2S/c1-21(2,19(24)23-20-22-13-14-26-20)18(15-7-5-4-6-8-15)16-9-11-17(25-3)12-10-16/h4-14,18H,1-3H3,(H,22,23,24) | PDB
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| 5.70 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348417
(CHEMBL1800987)Show InChI InChI=1S/C19H17N3O2S/c1-19(2,17(23)21-18-22-20-11-25-18)16-12-7-3-5-9-14(12)24-15-10-6-4-8-13(15)16/h3-11,16H,1-2H3,(H,21,22,23) | PDB
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| 6 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348409
(CHEMBL1801003)Show SMILES CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1 | PDB
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| 7.30 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249141
(15-methyl-N-(4-methyl-1,3-thiazol-2-yl)tetracyclo[...)Show SMILES Cc1csc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)n1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(25.89,-10.69,;24.49,-11.33,;23.15,-10.57,;22.01,-11.62,;22.65,-13.02,;21.9,-14.37,;20.35,-14.38,;19.57,-13.06,;19.6,-15.72,;18.25,-14.95,;20.11,-16.49,;20.11,-18.68,;18.25,-19.2,;16.9,-19.97,;15.57,-19.2,;15.57,-17.66,;16.9,-16.88,;18.21,-17.81,;19.6,-17.14,;21.13,-18.03,;22.4,-17.3,;23.68,-18.03,;23.69,-19.51,;22.41,-20.25,;21.13,-19.51,;24.19,-12.84,)| Show InChI InChI=1S/C22H20N2OS/c1-13-12-26-21(23-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25) | PDB
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| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249107
(15-methyl-N-(5-methyl-1,3-thiazol-2-yl)tetracyclo[...)Show SMILES Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)| Show InChI InChI=1S/C22H20N2OS/c1-13-12-23-21(26-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25) | PDB
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| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249107
(15-methyl-N-(5-methyl-1,3-thiazol-2-yl)tetracyclo[...)Show SMILES Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)| Show InChI InChI=1S/C22H20N2OS/c1-13-12-23-21(26-13)24-20(25)22(2)11-18-14-7-3-5-9-16(14)19(22)17-10-6-4-8-15(17)18/h3-10,12,18-19H,11H2,1-2H3,(H,23,24,25) | PDB
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| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM615622
(US20230271949, Example 413)Show SMILES Cc1n[nH]c2c(F)cc(cc12)C(=O)Nc1ccc2n(C[C@@H]3CCO3)c(Cc3cc(F)c(cc3F)-c3cccc(OCc4ccc(Cl)cc4F)n3)nc2c1 |r| | PDB
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| US Patent
| 14.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research, Inc.
US Patent
| |
US Patent US10208039 (2019)
BindingDB Entry DOI: 10.7270/Q29W0KMG |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM615623
(US20230271949, Example 414)Show SMILES CCn1cncc1Cn1c(Cc2cc(F)c(cc2F)-c2cccc(OCc3ccc(Cl)cc3F)n2)nc2cc(NC(=O)c3cc(F)c4[nH]nc(C)c4c3)ccc12 | PDB
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| 15.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research, Inc.
US Patent
| |
US Patent US10208039 (2019)
BindingDB Entry DOI: 10.7270/Q29W0KMG |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348402
(CHEMBL1801011)Show SMILES CC(C)([C@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m1/s1 | PDB
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| 18.7 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50348403
(CHEMBL1801010)Show SMILES CC(C)(C(c1ccccc1)c1ccc(O)cc1F)C(=O)Nc1nccs1 Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)15-9-8-14(24)12-16(15)21/h3-12,17,24H,1-2H3,(H,22,23,25) | PDB
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| 20.7 | 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
Displacement of GS-red from GRapha by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50348414
(CHEMBL1800984)Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1 | PDB
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| 22 | 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 progesterone receptor by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249142
(CHEMBL514455 | N-(4,5-dimethyl-1,3-thiazol-2-yl)-1...)Show SMILES Cc1nc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)sc1C |TLB:8:7:11.16:18.23,15:16:9.7:18.23,19:18:11.16:9.7,THB:5:7:11.16:18.23,(38.26,-10.94,;36.85,-11.59,;36.55,-13.1,;35.01,-13.28,;34.26,-14.62,;32.71,-14.64,;31.93,-13.31,;31.96,-15.98,;30.62,-15.21,;32.47,-16.75,;32.47,-18.94,;30.61,-19.46,;29.26,-20.23,;27.93,-19.46,;27.93,-17.91,;29.26,-17.14,;30.57,-18.06,;31.96,-17.4,;33.49,-18.29,;34.76,-17.55,;36.04,-18.28,;36.05,-19.77,;34.77,-20.51,;33.49,-19.77,;34.38,-11.88,;35.51,-10.83,;35.33,-9.3,)| Show InChI InChI=1S/C23H22N2OS/c1-13-14(2)27-22(24-13)25-21(26)23(3)12-19-15-8-4-6-10-17(15)20(23)18-11-7-5-9-16(18)19/h4-11,19-20H,12H2,1-3H3,(H,24,25,26) | PDB
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| 22.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249194
((15S)-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6...)Show SMILES C[C@@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.20,wD:1.0,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(20.82,-47.18,;22.17,-47.95,;22.68,-48.72,;22.68,-50.92,;20.81,-51.44,;19.47,-52.21,;18.13,-51.44,;18.14,-49.89,;19.46,-49.12,;20.78,-50.04,;22.17,-49.37,;23.7,-50.27,;24.98,-49.53,;26.26,-50.26,;26.26,-51.75,;24.98,-52.49,;23.7,-51.75,;22.92,-46.61,;22.14,-45.28,;24.47,-46.59,;25.23,-45.25,;26.76,-45.07,;27.07,-43.56,;25.72,-42.8,;24.59,-43.85,)| Show InChI InChI=1S/C21H18N2OS/c1-21(19(24)23-20-22-10-11-25-20)12-17-13-6-2-4-8-15(13)18(21)16-9-5-3-7-14(16)17/h2-11,17-18H,12H2,1H3,(H,22,23,24)/t17?,18?,21-/m0/s1 | PDB
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| 26.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucagon-like peptide 1 receptor
(Homo sapiens (Human)) | BDBM615625
(US20230271949, Example 416)Show SMILES Cc1n[nH]c2c(F)cc(cc12)C(=O)Nc1ccc2n(C[C@@H]3CCO3)c(Cc3cc(F)c(cc3CO)-c3cccc(OCc4ccc(Cl)cc4F)n3)nc2c1 |r| | PDB
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| PC cid
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| US Patent
| 29.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Quanticel Research, Inc.
US Patent
| |
US Patent US10208039 (2019)
BindingDB Entry DOI: 10.7270/Q29W0KMG |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11234
((2S)-N-(2-chloro-4-nitrophenyl)-2-{[4-(dimethylami...)Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r| Show InChI InChI=1S/C24H23ClN4O4/c1-28(2)18-10-8-17(9-11-18)23(30)27-22(14-16-6-4-3-5-7-16)24(31)26-21-13-12-19(29(32)33)15-20(21)25/h3-13,15,22H,14H2,1-2H3,(H,26,31)(H,27,30)/t22-/m0/s1 | PDB
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| 30 | -42.9 | 60 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Taiwan University
| Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t... |
J Med Chem 48: 4469-73 (2005)
Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50249150
(8,15-dimethyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2...)Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)| Show InChI InChI=1S/C22H20N2OS/c1-21-13-22(2,19(25)24-20-23-11-12-26-20)18(14-7-3-5-9-16(14)21)15-8-4-6-10-17(15)21/h3-12,18H,13H2,1-2H3,(H,23,24,25) | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of radioligand from progesterone receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50348407
(CHEMBL1801006)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H19BrN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1 | PDB
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| 31 | 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 progesterone receptor by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50555575
(C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...)Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00213
BindingDB Entry DOI: 10.7270/Q2BG2T07 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50249196
((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...)Show SMILES C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.22,TLB:0:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:19:1:6.11:13.18,(17.34,-30.79,;18.69,-31.57,;19.19,-32.33,;19.2,-34.53,;19.19,-36.06,;19.17,-37.6,;17.33,-35.05,;15.99,-35.82,;14.65,-35.05,;14.65,-33.5,;15.98,-32.73,;17.3,-33.65,;18.69,-32.98,;20.22,-33.88,;21.5,-33.14,;22.78,-33.87,;22.78,-35.36,;21.5,-36.1,;20.22,-35.36,;19.44,-30.22,;18.66,-28.9,;20.99,-30.21,;21.74,-28.86,;23.28,-28.68,;23.59,-27.17,;22.24,-26.41,;21.11,-27.46,)| Show InChI InChI=1S/C22H17N3OS/c1-21(19(26)25-20-24-10-11-27-20)12-22(13-23)16-8-4-2-6-14(16)18(21)15-7-3-5-9-17(15)22/h2-11,18H,12H2,1H3,(H,24,25,26)/t18?,21-,22?/m1/s1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of radioligand from progesterone receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50249195
(8,15-dimethyl-N-(1,3,4-thiadiazol-2-yl)tetracyclo[...)Show SMILES CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)| Show InChI InChI=1S/C21H19N3OS/c1-20-11-21(2,18(25)23-19-24-22-12-26-19)17(13-7-3-5-9-15(13)20)14-8-4-6-10-16(14)20/h3-10,12,17H,11H2,1-2H3,(H,23,24,25) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of radioligand from progesterone receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50249197
((15S)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...)Show SMILES C[C@@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.22,wD:1.0,TLB:19:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:0:1:6.11:13.18,(33.18,-29.81,;32.42,-31.15,;32.93,-31.92,;32.94,-34.11,;32.92,-35.65,;32.9,-37.18,;31.07,-34.63,;29.72,-35.4,;28.39,-34.63,;28.39,-33.08,;29.72,-32.31,;31.03,-33.23,;32.42,-32.57,;33.96,-33.46,;35.23,-32.72,;36.51,-33.45,;36.51,-34.94,;35.23,-35.68,;33.95,-34.94,;31.08,-30.37,;31.07,-28.83,;29.74,-31.15,;28.4,-30.37,;26.99,-31.01,;25.96,-29.86,;26.73,-28.52,;28.24,-28.84,)| Show InChI InChI=1S/C22H17N3OS/c1-21(19(26)25-20-24-10-11-27-20)12-22(13-23)16-8-4-2-6-14(16)18(21)15-7-3-5-9-17(15)22/h2-11,18H,12H2,1H3,(H,24,25,26)/t18?,21-,22?/m0/s1 | PDB
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PC cid
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PubMed
| 37.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 2139-43 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.006
BindingDB Entry DOI: 10.7270/Q2XW4KRC |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50348405
(CHEMBL1801008)Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1 | PDB
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PubMed
| 53 | 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 progesterone receptor by fluorescence polarization assay |
J Med Chem 53: 8241-51 (2010)
Article DOI: 10.1021/jm100957a
BindingDB Entry DOI: 10.7270/Q2HX1DPW |
More data for this
Ligand-Target Pair | |
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