Found 2408 hits with Last Name = 'clark' and Initial = 'de' 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 |
|---|
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220746
(CHEMBL292189)Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30) | PDB
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| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220747
(CHEMBL56863)Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32) | PDB
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| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408198
(CHEMBL91278)Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC1CC1 Show InChI InChI=1S/C25H35N5O2/c1-28(2)25(31)21-7-5-12-26-24(21)27-13-6-14-29-15-17-30(18-16-29)22-8-3-4-9-23(22)32-19-20-10-11-20/h3-5,7-9,12,20H,6,10-11,13-19H2,1-2H3,(H,26,27) | PDB
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| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
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| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408201
(CHEMBL88512)Show InChI InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23) | PDB
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| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50060964
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | PDB
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| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220750
(CHEMBL55695)Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-15-13-26-20(31)29(19(15)30)7-3-2-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31) | PDB
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| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50203205
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells |
J Med Chem 50: 607-10 (2007)
Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50160161
(5-Methyl-3-(3-{4-[2-(2,2,2-trifluoro-ethoxy)-pheny...)Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29) | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220788
(CHEMBL417954)Show SMILES Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1 Show InChI InChI=1S/C19H21F5N4O3/c20-13-2-3-15(16(10-13)31-12-19(22,23)24)27-8-6-26(7-9-27)4-1-5-28-17(29)14(21)11-25-18(28)30/h2-3,10-11H,1,4-9,12H2,(H,25,30) | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372966
(CHEMBL270668)Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:12| Show InChI InChI=1S/C27H30FN3O4S/c1-20-3-9-25(10-4-20)36(32,33)30-12-11-22-15-26-21(16-27(22,18-30)19-35-14-13-34-2)17-29-31(26)24-7-5-23(28)6-8-24/h3-10,15,17H,11-14,16,18-19H2,1-2H3/t27-/m1/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50012544
(CHEMBL3260768)Show SMILES Cc1oc(cc1CNc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C27H24F2N2O5S/c1-17-5-3-4-6-25(17)37(33,34)31-26(32)24-15-21(18(2)35-24)16-30-22-11-7-19(8-12-22)20-9-13-23(14-10-20)36-27(28)29/h3-15,27,30H,16H2,1-2H3,(H,31,32) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting |
Bioorg Med Chem Lett 24: 2212-21 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220744
(CHEMBL55290)Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29) | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408246
(CHEMBL92261)Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26) | PDB
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408248
(CHEMBL330060)Show InChI InChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3 | PDB
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| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus |
Bioorg Med Chem Lett 17: 5704-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50209744
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372975
(CHEMBL270667)Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1 |c:12| Show InChI InChI=1S/C26H28FN3O4S/c1-33-13-14-34-19-26-16-20-17-28-30(23-9-7-22(27)8-10-23)25(20)15-21(26)11-12-29(18-26)35(31,32)24-5-3-2-4-6-24/h2-10,15,17H,11-14,16,18-19H2,1H3/t26-/m1/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372977
(CHEMBL255369)Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:9| Show InChI InChI=1S/C25H26FN3O3S/c1-18-3-9-23(10-4-18)33(30,31)28-12-11-20-13-24-19(14-25(20,16-28)17-32-2)15-27-29(24)22-7-5-21(26)6-8-22/h3-10,13,15H,11-12,14,16-17H2,1-2H3/t25-/m1/s1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50033112
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3 | PDB
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| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220785
(CHEMBL293149)Show SMILES Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C19H22F4N4O3/c1-13-11-24-18(29)27(17(13)28)9-6-25-4-7-26(8-5-25)15-3-2-14(20)10-16(15)30-12-19(21,22)23/h2-3,10-11H,4-9,12H2,1H3,(H,24,29) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50012543
(CHEMBL3260767)Show SMILES Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(COc2ccc(cc2)-c2ccc(OC(F)F)cc2)c(C)o1 Show InChI InChI=1S/C25H22F2N2O7S/c1-14-23(16(3)36-28-14)37(31,32)29-24(30)22-12-19(15(2)34-22)13-33-20-8-4-17(5-9-20)18-6-10-21(11-7-18)35-25(26)27/h4-12,25H,13H2,1-3H3,(H,29,30) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting |
Bioorg Med Chem Lett 24: 2212-21 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.068
BindingDB Entry DOI: 10.7270/Q2125V6J |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50113780
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1 Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus |
Bioorg Med Chem Lett 17: 5704-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372937
(CHEMBL257461)Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCOCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:27| Show InChI InChI=1S/C27H29FN4O3S/c28-23-6-8-24(9-7-23)32-26-16-22-10-11-31(36(33,34)25-4-2-1-3-5-25)20-27(22,17-21(26)18-29-32)19-30-12-14-35-15-13-30/h1-9,16,18H,10-15,17,19-20H2/t27-/m0/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372974
(CHEMBL270575)Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12| Show InChI InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372965
(CHEMBL442803)Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |c:12| Show InChI InChI=1S/C26H27F2N3O4S/c1-34-12-13-35-18-26-15-19-16-29-31(23-6-2-21(27)3-7-23)25(19)14-20(26)10-11-30(17-26)36(32,33)24-8-4-22(28)5-9-24/h2-9,14,16H,10-13,15,17-18H2,1H3/t26-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372974
(CHEMBL270575)Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:12| Show InChI InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50203200
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50203200
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1 | PDB
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| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells |
J Med Chem 50: 607-10 (2007)
Article DOI: 10.1021/jm061224g
BindingDB Entry DOI: 10.7270/Q2KP81T0 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220786
(CHEMBL55629)Show SMILES Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O Show InChI InChI=1S/C22H27F3N4O3/c1-16-12-26-20(31)29(19(16)30)14-21(6-7-21)13-27-8-10-28(11-9-27)17-4-2-3-5-18(17)32-15-22(23,24)25/h2-5,12H,6-11,13-15H2,1H3,(H,26,31) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408229
(CHEMBL329160)Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
The compound was screened in vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408242
(CHEMBL91876)Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1 Show InChI InChI=1S/C24H33N5O2/c1-31-22-10-3-2-9-21(22)28-18-16-27(17-19-28)13-7-12-26-23-20(8-6-11-25-23)24(30)29-14-4-5-15-29/h2-3,6,8-11H,4-5,7,12-19H2,1H3,(H,25,26) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408232
(CHEMBL91093)Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC(C)(C)C Show InChI InChI=1S/C26H39N5O2/c1-26(2,3)20-33-23-12-7-6-11-22(23)31-18-16-30(17-19-31)15-9-14-28-24-21(10-8-13-27-24)25(32)29(4)5/h6-8,10-13H,9,14-20H2,1-5H3,(H,27,28) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408205
(CHEMBL88435)Show InChI InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24) | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50160165
(CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...)Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3 | PDB
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Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50408244
(CHEMBL93736)Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-17-23-11-9-19(18)24-10-6-12-26-13-15-27(16-14-26)20-7-4-5-8-21(20)29-3/h4-5,7-9,11,17H,6,10,12-16H2,1-3H3,(H,23,24) | PDB
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor |
J Med Chem 40: 2674-87 (1997)
Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50220782
(CHEMBL53675)Show SMILES CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C21H26F4N4O3/c1-2-15-13-26-20(31)29(19(15)30)7-3-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31) | PDB
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 13: 1873-8 (2003)
BindingDB Entry DOI: 10.7270/Q2S46V50 |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372969
(CHEMBL271428)Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C25H23F4N3O3S/c1-35-16-24-13-17-14-30-32(21-6-4-20(26)5-7-21)23(17)12-19(24)10-11-31(15-24)36(33,34)22-8-2-18(3-9-22)25(27,28)29/h2-9,12,14H,10-11,13,15-16H2,1H3/t24-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372964
(CHEMBL270568)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCO)C1)cnn3-c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C29H34FN3O4S/c1-28(2,3)22-4-10-26(11-5-22)38(35,36)32-13-12-23-16-27-21(17-29(23,19-32)20-37-15-14-34)18-31-33(27)25-8-6-24(30)7-9-25/h4-11,16,18,34H,12-15,17,19-20H2,1-3H3/t29-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372976
(CHEMBL271221)Show SMILES CCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:10| Show InChI InChI=1S/C29H34FN3O3S/c1-5-36-20-29-17-21-18-31-33(25-10-8-24(30)9-11-25)27(21)16-23(29)14-15-32(19-29)37(34,35)26-12-6-22(7-13-26)28(2,3)4/h6-13,16,18H,5,14-15,17,19-20H2,1-4H3/t29-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372970
(CHEMBL402893)Show SMILES COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:9| Show InChI InChI=1S/C28H32FN3O3S/c1-27(2,3)21-5-11-25(12-6-21)36(33,34)31-14-13-22-15-26-20(16-28(22,18-31)19-35-4)17-30-32(26)24-9-7-23(29)8-10-24/h5-12,15,17H,13-14,16,18-19H2,1-4H3/t28-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372931
(CHEMBL409835)Show SMILES Fc1ccc(cc1)-n1ncc2C[C@]3(CN4CCCCC4)CN(CCC3=Cc12)S(=O)(=O)c1ccccc1 |c:27| Show InChI InChI=1S/C28H31FN4O2S/c29-24-9-11-25(12-10-24)33-27-17-23-13-16-32(36(34,35)26-7-3-1-4-8-26)21-28(23,18-22(27)19-30-33)20-31-14-5-2-6-15-31/h1,3-4,7-12,17,19H,2,5-6,13-16,18,20-21H2/t28-/m0/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372926
(CHEMBL411852)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(COCCC#N)C1)cnn3-c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C30H33FN4O3S/c1-29(2,3)23-5-11-27(12-6-23)39(36,37)34-15-13-24-17-28-22(18-30(24,20-34)21-38-16-4-14-32)19-33-35(28)26-9-7-25(31)8-10-26/h5-12,17,19H,4,13,15-16,18,20-21H2,1-3H3/t30-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372945
(CHEMBL404183)Show SMILES COCCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:13| Show InChI InChI=1S/C31H38FN3O4S/c1-30(2,3)24-6-12-28(13-7-24)40(36,37)34-15-14-25-18-29-23(19-31(25,21-34)22-39-17-5-16-38-4)20-33-35(29)27-10-8-26(32)9-11-27/h6-13,18,20H,5,14-17,19,21-22H2,1-4H3/t31-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay |
Bioorg Med Chem Lett 17: 5704-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372918
(CHEMBL401864)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CNCC=C)C1)cnn3-c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C30H35FN4O2S/c1-5-15-32-20-30-18-22-19-33-35(26-10-8-25(31)9-11-26)28(22)17-24(30)14-16-34(21-30)38(36,37)27-12-6-23(7-13-27)29(2,3)4/h5-13,17,19,32H,1,14-16,18,20-21H2,2-4H3/t30-/m0/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372929
(CHEMBL270838)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(CN2CCOCC2)C1)cnn3-c1ccc(F)cc1 |t:17| Show InChI InChI=1S/C31H37FN4O3S/c1-30(2,3)24-4-10-28(11-5-24)40(37,38)35-13-12-25-18-29-23(20-33-36(29)27-8-6-26(32)7-9-27)19-31(25,22-35)21-34-14-16-39-17-15-34/h4-11,18,20H,12-17,19,21-22H2,1-3H3/t31-/m0/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50372967
(CHEMBL270879)Show SMILES CCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |c:11| Show InChI InChI=1S/C27H27F4N3O3S/c1-2-13-37-18-26-15-19-16-32-34(23-7-5-22(28)6-8-23)25(19)14-21(26)11-12-33(17-26)38(35,36)24-9-3-20(4-10-24)27(29,30)31/h3-10,14,16H,2,11-13,15,17-18H2,1H3/t26-/m1/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description
Displacement of [3H]dexamethasone from human recombinant GR |
Bioorg Med Chem Lett 18: 1312-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP |
More data for this
Ligand-Target Pair | |
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