Found 184 hits with Last Name = 'märz' and Initial = 'j' 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 |
|---|
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084952
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33) | PDB
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PC sid
UniChem
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084958
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(29-32-31-20(2)37-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35) | PDB
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| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084953
(2-Methyl-biphenyl-4,4'-dicarboxylic acid 4-amide 4...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H30N4O3/c1-18-16-21(26(28)32)8-10-23(18)19-4-6-20(7-5-19)27(33)29-22-9-11-25(34-3)24(17-22)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3,(H2,28,32)(H,29,33) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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PC cid
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084952
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084961
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,29,35) | PDB
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PC cid
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084960
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(27-29-19(2)36-31-27)8-10-24(18)20-4-6-21(7-5-20)28(35)30-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,30,35) | PDB
Reactome pathway
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| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084953
(2-Methyl-biphenyl-4,4'-dicarboxylic acid 4-amide 4...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H30N4O3/c1-18-16-21(26(28)32)8-10-23(18)19-4-6-20(7-5-19)27(33)29-22-9-11-25(34-3)24(17-22)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3,(H2,28,32)(H,29,33) | PDB
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PC sid
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084951
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50084952
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084958
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(29-32-31-20(2)37-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50084953
(2-Methyl-biphenyl-4,4'-dicarboxylic acid 4-amide 4...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H30N4O3/c1-18-16-21(26(28)32)8-10-23(18)19-4-6-20(7-5-19)27(33)29-22-9-11-25(34-3)24(17-22)31-14-12-30(2)13-15-31/h4-11,16-17H,12-15H2,1-3H3,(H2,28,32)(H,29,33) | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084955
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C28H31N5O4S/c1-19-17-22(28-30-29-20(2)37-28)7-11-25(19)21-5-9-24(10-6-21)38(34,35)31-23-8-12-27(36-4)26(18-23)33-15-13-32(3)14-16-33/h5-12,17-18,31H,13-16H2,1-4H3 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386043
(CHEMBL2042883)Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H25ClN4O4S/c1-30(15-17-8-6-16(7-9-17)14-27-35(2,33)34)25(32)21-12-20-22(28-29-23(20)13-24(21)31)11-18-4-3-5-19(26)10-18/h3-10,12-13,27,31H,11,14-15H2,1-2H3,(H,28,29) | PDB
MMDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084954
(CHEMBL443762 | Methanesulfonic acid 4-{[2'-methyl-...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1OS(C)(=O)=O Show InChI InChI=1S/C29H31N5O5S/c1-19-17-23(29-32-31-20(2)38-29)9-11-25(19)21-5-7-22(8-6-21)28(35)30-24-10-12-27(39-40(4,36)37)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,30,35) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50084961
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,29,35) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386053
(CHEMBL2042769)Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C26H28N4O4S/c1-17-5-4-6-20(11-17)12-23-21-13-22(25(31)14-24(21)29-28-23)26(32)30(2)16-19-9-7-18(8-10-19)15-27-35(3,33)34/h4-11,13-14,27,31H,12,15-16H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386047
(CHEMBL2042764)Show SMILES CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H21ClFN3O2/c1-14-4-3-5-15(8-14)10-21-17-11-18(23(30)12-22(17)28-27-21)24(31)29(2)13-16-6-7-19(25)20(26)9-16/h3-9,11-12,30H,10,13H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386051
(CHEMBL2042767)Show SMILES CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O4S/c1-16-6-4-7-17(10-16)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)29(2)15-18-8-5-9-19(11-18)28-34(3,32)33/h4-11,13-14,28,30H,12,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386005
(CHEMBL2042895)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(CCc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-27(16-18-10-6-3-7-11-18)24(29)20-14-19-21(25-26-22(19)15-23(20)28)13-12-17-8-4-2-5-9-17/h2-11,14-15,28H,12-13,16H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386031
(CHEMBL2042870)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-7-6-10-18(11-16)12-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)15-17-8-4-3-5-9-17/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386018
(CHEMBL2042857)Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386052
(CHEMBL2042768)Show SMILES CN(Cc1ccc(NS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O4S/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)29(2)15-17-7-9-19(10-8-17)28-34(3,32)33/h4-11,13-14,28,30H,12,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386044
(CHEMBL2042761)Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H22FN3O2/c1-15-5-3-6-16(9-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-17-7-4-8-18(25)10-17/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386021
(CHEMBL2042860)Show SMILES CCc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O2/c1-3-17-9-11-19(12-10-17)16-28(2)25(30)21-14-20-22(13-18-7-5-4-6-8-18)26-27-23(20)15-24(21)29/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084961
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(28-31-30-19(2)36-28)8-10-24(18)20-4-6-21(7-5-20)27(35)29-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,29,35) | PDB
Reactome pathway
KEGG
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CHEMBL
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PC sid
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| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386029
(CHEMBL2042868)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-15-6-3-2-4-7-15)23(29)19-12-18-20(25-26-21(18)13-22(19)28)11-16-8-5-9-17(24)10-16/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50084952
(4'-Carbamimidoyl-2'-methyl-biphenyl-4-carboxylic a...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N5O2/c1-18-16-21(26(28)29)8-10-23(18)19-4-6-20(7-5-19)27(33)30-22-9-11-25(34-3)24(17-22)32-14-12-31(2)13-15-32/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29)(H,30,33) | PDB
KEGG
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CHEMBL
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PC sid
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Similars
| PubMed
| n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition of 5-hydroxytryptamine reuptake |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386042
(CHEMBL2042882)Show SMILES CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23ClN4O4S/c1-29(14-16-6-4-8-18(10-16)28-34(2,32)33)24(31)20-12-19-21(26-27-22(19)13-23(20)30)11-15-5-3-7-17(25)9-15/h3-10,12-13,28,30H,11,14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
KEGG
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CHEMBL
MCE
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 425 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386046
(CHEMBL2042763)Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O3/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(29)14-23(20)27-26-22)25(30)28(2)15-17-7-9-19(31-3)10-8-17/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084960
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O Show InChI InChI=1S/C28H29N5O3/c1-18-16-22(27-29-19(2)36-31-27)8-10-24(18)20-4-6-21(7-5-20)28(35)30-23-9-11-26(34)25(17-23)33-14-12-32(3)13-15-33/h4-11,16-17,34H,12-15H2,1-3H3,(H,30,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 467 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386023
(CHEMBL2042862)Show SMILES COc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1OC Show InChI InChI=1S/C25H25N3O4/c1-28(15-17-10-7-11-23(31-2)24(17)32-3)25(30)19-13-18-20(12-16-8-5-4-6-9-16)26-27-21(18)14-22(19)29/h4-11,13-14,29H,12,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386050
(CHEMBL2042766)Show SMILES CN(Cc1ccc(F)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H21F2N3O2/c1-14-4-3-5-15(8-14)10-21-17-11-18(23(30)12-22(17)28-27-21)24(31)29(2)13-16-6-7-19(25)20(26)9-16/h3-9,11-12,30H,10,13H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386011
(CHEMBL2042901)Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20FN3O2/c1-27(14-16-8-5-9-17(24)10-16)23(29)19-12-18-20(11-15-6-3-2-4-7-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386049
(CHEMBL2040870)Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)cc1OC Show InChI InChI=1S/C26H27N3O4/c1-16-6-5-7-17(10-16)11-21-19-13-20(23(30)14-22(19)28-27-21)26(31)29(2)15-18-8-9-24(32-3)25(12-18)33-4/h5-10,12-14,30H,11,15H2,1-4H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386045
(CHEMBL2042762)Show SMILES CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H22FN3O2/c1-15-4-3-5-17(10-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-16-6-8-18(25)9-7-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386037
(CHEMBL2042877)Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H19BrClN3O2/c1-28(13-15-6-2-3-8-19(15)24)23(30)18-11-17-20(26-27-21(17)12-22(18)29)10-14-5-4-7-16(25)9-14/h2-9,11-12,29H,10,13H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084951
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF Show InChI InChI=1S/C30H32FN5O3/c1-20-18-24(29-32-21(2)39-34-29)8-10-26(20)22-4-6-23(7-5-22)30(37)33-25-9-11-28(38-17-12-31)27(19-25)36-15-13-35(3)14-16-36/h4-11,18-19H,12-17H2,1-3H3,(H,33,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386004
(CHEMBL2042894)Show SMILES CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1 Show InChI InChI=1S/C20H17N3O3/c1-23(19-8-5-9-26-19)20(25)15-11-14-16(10-13-6-3-2-4-7-13)21-22-17(14)12-18(15)24/h2-9,11-12,24H,10H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386008
(CHEMBL2042898)Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20BrN3O2/c1-27(14-16-9-5-6-10-19(16)24)23(29)18-12-17-20(11-15-7-3-2-4-8-15)25-26-21(17)13-22(18)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386020
(CHEMBL2042859)Show SMILES CN(Cc1ccc(C)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)15-27(2)24(29)20-13-19-21(12-17-6-4-3-5-7-17)25-26-22(19)14-23(20)28/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386003
(CHEMBL2042893)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H21N3O2/c1-26(15-17-10-6-3-7-11-17)23(28)19-13-18-20(12-16-8-4-2-5-9-16)24-25-21(18)14-22(19)27/h2-11,13-14,27H,12,15H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386048
(CHEMBL2042765)Show SMILES COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)ccc1Cl Show InChI InChI=1S/C25H24ClN3O3/c1-15-5-4-6-16(9-15)10-21-18-12-19(23(30)13-22(18)28-27-21)25(31)29(2)14-17-7-8-20(26)24(11-17)32-3/h4-9,11-13,30H,10,14H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084955
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C28H31N5O4S/c1-19-17-22(28-30-29-20(2)37-28)7-11-25(19)21-5-9-24(10-6-21)38(34,35)31-23-8-12-27(36-4)26(18-23)33-15-13-32(3)14-16-33/h5-12,17-18,31H,13-16H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50084955
(2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biph...)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C28H31N5O4S/c1-19-17-22(28-30-29-20(2)37-28)7-11-25(19)21-5-9-24(10-6-21)38(34,35)31-23-8-12-27(36-4)26(18-23)33-15-13-32(3)14-16-33/h5-12,17-18,31H,13-16H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Rattus norvegicus (Rat)) | BDBM50084957
(CHEMBL151695 | Trifluoro-methanesulfonic acid 4-{[...)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O5S/c1-18-16-22(27-33-19(2)41-35-27)8-10-24(18)20-4-6-21(7-5-20)28(38)34-23-9-11-26(42-43(39,40)29(30,31)32)25(17-23)37-14-12-36(3)13-15-37/h4-11,16-17H,12-15H2,1-3H3,(H,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Groningen
Curated by ChEMBL
| Assay Description
Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay |
J Med Chem 43: 517-25 (2000)
BindingDB Entry DOI: 10.7270/Q2WM1CNB |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386038
(CHEMBL2042878)Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H19ClFN3O2/c1-28(13-15-5-3-7-17(25)9-15)23(30)19-11-18-20(26-27-21(18)12-22(19)29)10-14-4-2-6-16(24)8-14/h2-9,11-12,29H,10,13H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
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