Found 51 hits with Last Name = 'quintana' 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 6
(Homo sapiens (Human)) | BDBM34143
(CHEMBL175835 | E-6837)Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12 Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223292
(CHEMBL249034 | N-(4-chlorobenzyl)-2-nitro-5-(piper...)Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C17H19ClN4O2/c18-14-3-1-13(2-4-14)12-20-16-11-15(5-6-17(16)22(23)24)21-9-7-19-8-10-21/h1-6,11,19-20H,7-10,12H2 | PDB
Reactome pathway
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223281
(5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethy...)Show SMILES CC(Nc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1)c1ccccc1 |w:1.0| Show InChI InChI=1S/C19H24N4O2/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)22-12-10-21(2)11-13-22/h3-9,14-15,20H,10-13H2,1-2H3 | PDB
Reactome pathway
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223306
(CHEMBL248658 | N-(2-(2-methoxyphenoxy)ethyl)-5-(4-...)Show SMILES COc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1 Show InChI InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-7-8-18(24(25)26)17(15-16)21-9-14-28-20-6-4-3-5-19(20)27-2/h3-8,15,21H,9-14H2,1-2H3 | PDB
Reactome pathway
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223288
(CHEMBL399962 | N-(furan-2-ylmethyl)-2-nitro-5-(pip...)Show InChI InChI=1S/C15H18N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h1-4,9-10,16-17H,5-8,11H2 | PDB
Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223309
(5-(4-methylpiperazin-1-yl)-2-nitro-N-(2-(o-tolylox...)Show SMILES CN1CCN(CC1)c1ccc(c(NCCOc2ccccc2C)c1)[N+]([O-])=O Show InChI InChI=1S/C20H26N4O3/c1-16-5-3-4-6-20(16)27-14-9-21-18-15-17(7-8-19(18)24(25)26)23-12-10-22(2)11-13-23/h3-8,15,21H,9-14H2,1-2H3 | PDB
Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223303
(1-methyl-4-(4-nitro-3-phenoxyphenyl)piperazine | C...)Show SMILES CN1CCN(CC1)c1ccc(c(Oc2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C17H19N3O3/c1-18-9-11-19(12-10-18)14-7-8-16(20(21)22)17(13-14)23-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3 | PDB
Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223294
(CHEMBL401294 | N-benzyl-2-nitro-5-(piperazin-1-yl)...)Show InChI InChI=1S/C17H20N4O2/c22-21(23)17-7-6-15(20-10-8-18-9-11-20)12-16(17)19-13-14-4-2-1-3-5-14/h1-7,12,18-19H,8-11,13H2 | PDB
Reactome pathway
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223304
(2-nitro-N-phenethyl-5-(piperazin-1-yl)benzenamine ...)Show InChI InChI=1S/C18H22N4O2/c23-22(24)18-7-6-16(21-12-10-19-11-13-21)14-17(18)20-9-8-15-4-2-1-3-5-15/h1-7,14,19-20H,8-13H2 | PDB
Reactome pathway
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50223277
(2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...)Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3 | PDB
MMDB
Reactome pathway
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Binding affinity at 5HT2A receptor |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223293
(CHEMBL399478 | N-(4-chlorobenzyl)-5-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccc(Cl)cc2)c1)[N+]([O-])=O Show InChI InChI=1S/C18H21ClN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3 | PDB
Reactome pathway
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223305
(CHEMBL251005 | N-(furan-2-ylmethyl)-5-(4-methylpip...)Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccco2)c1)[N+]([O-])=O Show InChI InChI=1S/C16H20N4O3/c1-18-6-8-19(9-7-18)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-23-14/h2-5,10-11,17H,6-9,12H2,1H3 | PDB
Reactome pathway
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223290
(CHEMBL398337 | N-(2-(4-tert-butylphenoxy)ethyl)-5-...)Show SMILES CN1CCN(CC1)c1ccc(c(NCCOc2ccc(cc2)C(C)(C)C)c1)[N+]([O-])=O Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)18-5-8-20(9-6-18)30-16-11-24-21-17-19(7-10-22(21)27(28)29)26-14-12-25(4)13-15-26/h5-10,17,24H,11-16H2,1-4H3 | PDB
Reactome pathway
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PC sid
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223277
(2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...)Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3 | PDB
Reactome pathway
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PC sid
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PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223297
(2-nitro-N-(2-phenoxyethyl)-5-(piperazin-1-yl)benze...)Show InChI InChI=1S/C18H22N4O3/c23-22(24)18-7-6-15(21-11-8-19-9-12-21)14-17(18)20-10-13-25-16-4-2-1-3-5-16/h1-7,14,19-20H,8-13H2 | PDB
Reactome pathway
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| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223285
(5-(4-methylpiperazin-1-yl)-2-nitro-N-phenethylbenz...)Show SMILES CN1CCN(CC1)c1ccc(c(NCCc2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C19H24N4O2/c1-21-11-13-22(14-12-21)17-7-8-19(23(24)25)18(15-17)20-10-9-16-5-3-2-4-6-16/h2-8,15,20H,9-14H2,1H3 | PDB
Reactome pathway
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| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223279
(2-nitro-5-(piperazin-1-yl)-N-(2-(o-tolyloxy)ethyl)...)Show SMILES Cc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C19H24N4O3/c1-15-4-2-3-5-19(15)26-13-10-21-17-14-16(6-7-18(17)23(24)25)22-11-8-20-9-12-22/h2-7,14,20-21H,8-13H2,1H3 | PDB
Reactome pathway
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| 163 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223283
(CHEMBL400660 | N-(2-amino-4-(4-methylpiperazin-1-y...)Show InChI InChI=1S/C20H26N4O/c1-16(25)24(15-17-6-4-3-5-7-17)20-9-8-18(14-19(20)21)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15,21H2,1-2H3 | PDB
Reactome pathway
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| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223278
(CHEMBL399681 | N-(4-fluorobenzyl)-5-(4-methylpiper...)Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccc(F)cc2)c1)[N+]([O-])=O Show InChI InChI=1S/C18H21FN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223302
(CHEMBL248845 | N-(2-(4-methoxyphenoxy)ethyl)-5-(4-...)Show SMILES COc1ccc(OCCNc2cc(ccc2[N+]([O-])=O)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-3-8-20(24(25)26)19(15-16)21-9-14-28-18-6-4-17(27-2)5-7-18/h3-8,15,21H,9-14H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223298
(1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl)...)Show SMILES CN1CCN(CC1)c1ccc(c(c1)-n1nc(C)cc1C)[N+]([O-])=O Show InChI InChI=1S/C16H21N5O2/c1-12-10-13(2)20(17-12)16-11-14(4-5-15(16)21(22)23)19-8-6-18(3)7-9-19/h4-5,10-11H,6-9H2,1-3H3 | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223284
(CHEMBL400349 | N-(2-(4-chlorophenoxy)ethyl)-2-nitr...)Show SMILES [O-][N+](=O)c1ccc(cc1NCCOc1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C18H21ClN4O3/c19-14-1-4-16(5-2-14)26-12-9-21-17-13-15(3-6-18(17)23(24)25)22-10-7-20-8-11-22/h1-6,13,20-21H,7-12H2 | PDB
Reactome pathway
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223311
(2-(benzyloxy)-N-(furan-2-ylmethyl)-5-(4-methylpipe...)Show InChI InChI=1S/C23H27N3O2/c1-25-11-13-26(14-12-25)20-9-10-23(28-18-19-6-3-2-4-7-19)22(16-20)24-17-21-8-5-15-27-21/h2-10,15-16,24H,11-14,17-18H2,1H3 | PDB
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| 402 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223310
(CHEMBL248985 | N-benzyl-2-methoxy-5-(4-methylpiper...)Show InChI InChI=1S/C19H25N3O/c1-21-10-12-22(13-11-21)17-8-9-19(23-2)18(14-17)20-15-16-6-4-3-5-7-16/h3-9,14,20H,10-13,15H2,1-2H3 | PDB
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| 409 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223286
(CHEMBL250804 | methyl 4-(4-methylpiperazin-1-yl)-2...)Show InChI InChI=1S/C21H27N3O2/c1-23-12-14-24(15-13-23)18-8-9-19(21(25)26-2)20(16-18)22-11-10-17-6-4-3-5-7-17/h3-9,16,22H,10-15H2,1-2H3 | PDB
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| 462 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223299
(CHEMBL250661 | N-(5-(4-methylpiperazin-1-yl)-2-nit...)Show SMILES CN1CCN(CC1)c1ccc(c(Nn2cccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C15H19N5O2/c1-17-8-10-18(11-9-17)13-4-5-15(20(21)22)14(12-13)16-19-6-2-3-7-19/h2-7,12,16H,8-11H2,1H3 | PDB
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| 481 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223301
(1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl)...)Show SMILES Cc1cc(C)n(n1)-c1cc(ccc1[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C15H19N5O2/c1-11-9-12(2)19(17-11)15-10-13(3-4-14(15)20(21)22)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3 | PDB
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| 482 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223295
(CHEMBL402923 | N-benzyl-2-(benzyloxy)-5-(4-methylp...)Show SMILES CN1CCN(CC1)c1ccc(OCc2ccccc2)c(NCc2ccccc2)c1 Show InChI InChI=1S/C25H29N3O/c1-27-14-16-28(17-15-27)23-12-13-25(29-20-22-10-6-3-7-11-22)24(18-23)26-19-21-8-4-2-5-9-21/h2-13,18,26H,14-17,19-20H2,1H3 | PDB
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| 928 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223289
(2-methoxy-5-(4-methylpiperazin-1-yl)-N-phenethylbe...)Show InChI InChI=1S/C20H27N3O/c1-22-12-14-23(15-13-22)18-8-9-20(24-2)19(16-18)21-11-10-17-6-4-3-5-7-17/h3-9,16,21H,10-15H2,1-2H3 | PDB
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| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223307
(2-(5-(4-methylpiperazin-1-yl)-2-nitrophenyl)-4-phe...)Show SMILES CN1CCN(CC1)c1ccc(c(c1)-n1nc(-c2ccccc2)c2ccccc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C25H23N5O3/c1-27-13-15-28(16-14-27)19-11-12-22(30(32)33)23(17-19)29-25(31)21-10-6-5-9-20(21)24(26-29)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3 | PDB
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| 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223291
(5-(4-methylpiperazin-1-yl)-2-nitro-N-(pyridin-3-yl...)Show SMILES CN1CCN(CC1)c1ccc(c(NCc2cccnc2)c1)[N+]([O-])=O Show InChI InChI=1S/C17H21N5O2/c1-20-7-9-21(10-8-20)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3 | PDB
Reactome pathway
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| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223280
(2-(benzyloxy)-5-(4-methylpiperazin-1-yl)-N-pheneth...)Show SMILES CN1CCN(CC1)c1ccc(OCc2ccccc2)c(NCCc2ccccc2)c1 Show InChI InChI=1S/C26H31N3O/c1-28-16-18-29(19-17-28)24-12-13-26(30-21-23-10-6-3-7-11-23)25(20-24)27-15-14-22-8-4-2-5-9-22/h2-13,20,27H,14-19,21H2,1H3 | PDB
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| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223300
(2-(furan-2-ylmethylamino)-4-(4-methylpiperazin-1-y...)Show InChI InChI=1S/C17H20N4O/c1-20-6-8-21(9-7-20)15-5-4-14(12-18)17(11-15)19-13-16-3-2-10-22-16/h2-5,10-11,19H,6-9,13H2,1H3 | PDB
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| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223296
(CHEMBL250663 | N1-(2-aminoethyl)-N3-benzyl-4-nitro...)Show InChI InChI=1S/C15H18N4O2/c16-8-9-17-13-6-7-15(19(20)21)14(10-13)18-11-12-4-2-1-3-5-12/h1-7,10,17-18H,8-9,11,16H2 | PDB
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| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223282
(2-nitro-5-(piperazin-1-yl)-N-(pyridin-3-ylmethyl)b...)Show InChI InChI=1S/C16H19N5O2/c22-21(23)16-4-3-14(20-8-6-17-7-9-20)10-15(16)19-12-13-2-1-5-18-11-13/h1-5,10-11,17,19H,6-9,12H2 | PDB
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| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223287
(CHEMBL399024 | methyl 2-(benzylamino)-5-(4-methylp...)Show InChI InChI=1S/C20H25N3O2/c1-22-10-12-23(13-11-22)17-8-9-19(18(14-17)20(24)25-2)21-15-16-6-4-3-5-7-16/h3-9,14,21H,10-13,15H2,1-2H3 | PDB
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| 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50223308
(CHEMBL398481 | N-benzhydryl-5-(4-methylpiperazin-1...)Show SMILES CN1CCN(CC1)c1ccc(c(NC(c2ccccc2)c2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C24H26N4O2/c1-26-14-16-27(17-15-26)21-12-13-23(28(29)30)22(18-21)25-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24-25H,14-17H2,1H3 | PDB
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| 4.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6224-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43 |
More data for this
Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50527390
(CHEMBL1232738)Show InChI InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19) | PDB
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| PDB
Article
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| n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a |
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)
Curated by ChEMBL
| Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1... |
J Med Chem 63: 3205-3214 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50527390
(CHEMBL1232738)Show InChI InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19) | PDB
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| PDB
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| n/a | n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a |
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)
Curated by ChEMBL
| Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1... |
J Med Chem 63: 3205-3214 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50197883
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | PDB
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MCE
PC cid
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| PDB
Article
PubMed
| n/a | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a |
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)
Curated by ChEMBL
| Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1... |
J Med Chem 63: 3205-3214 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50197883
(CHEBI:78538 | FX-1006 | Tafamidis | US10377729, Co...)Show InChI InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a |
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)
Curated by ChEMBL
| Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1... |
J Med Chem 63: 3205-3214 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transthyretin
(Homo sapiens (Human)) | BDBM50240510
(CHEMBL898 | DIFLUNISAL)Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | PDB
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| DrugBank
PDB
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| n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a |
Institut de Qu??mica Avan£ada de Catalunya (I.Q.A.C.-C.S.I.C.)
Curated by ChEMBL
| Assay Description
Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1... |
J Med Chem 63: 3205-3214 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01970
BindingDB Entry DOI: 10.7270/Q2RJ4NW0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Guanylate cyclase soluble subunit alpha-1/beta-1
(Homo sapiens (Human)) | BDBM50573752
(CHEMBL4855255)Show SMILES Cc1ccc(C)c(c1)N(CCCC(C)(C)C(O)=O)C(=O)CCCCC(=O)N(CCCC(C)(C)C(O)=O)c1cc(C)ccc1C | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incuba... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113729
BindingDB Entry DOI: 10.7270/Q2474FNP |
More data for this
Ligand-Target Pair | |
Guanylate cyclase soluble subunit alpha-1/beta-1
(Homo sapiens (Human)) | BDBM50573753
(CHEMBL4872813) | PDB
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UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incuba... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113729
BindingDB Entry DOI: 10.7270/Q2474FNP |
More data for this
Ligand-Target Pair | |
Guanylate cyclase soluble subunit alpha-1/beta-1
(Homo sapiens (Human)) | BDBM50573754
(CHEMBL4859323) | PDB
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| n/a | n/a | n/a | n/a | 7.07E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incuba... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113729
BindingDB Entry DOI: 10.7270/Q2474FNP |
More data for this
Ligand-Target Pair | |
Guanylate cyclase soluble subunit alpha-1/beta-1
(Homo sapiens (Human)) | BDBM50573755
(CHEMBL4849979) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.89E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incuba... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113729
BindingDB Entry DOI: 10.7270/Q2474FNP |
More data for this
Ligand-Target Pair | |
Guanylate cyclase soluble subunit alpha-1/beta-1
(Homo sapiens (Human)) | BDBM50573756
(CHEMBL4870299) | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incuba... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113729
BindingDB Entry DOI: 10.7270/Q2474FNP |
More data for this
Ligand-Target Pair | |
Guanylate cyclase soluble subunit alpha-1/beta-1
(Homo sapiens (Human)) | BDBM50573757
(CHEMBL4878377) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.66E+5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incuba... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113729
BindingDB Entry DOI: 10.7270/Q2474FNP |
More data for this
Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50249584
(CHEMBL4074607)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C89H135N25O25/c1-45(2)32-58(106-75(124)54(24-16-18-30-90)103-76(125)55(26-28-66(92)116)104-80(129)61(35-52-39-95-43-98-52)108-81(130)62(36-53-40-96-44-99-53)111-86(135)71(94)46(3)4)83(132)114-73(48(7)8)88(137)112-60(34-51-22-14-11-15-23-51)79(128)107-59(33-50-20-12-10-13-21-50)78(127)100-49(9)74(123)102-56(27-29-69(119)120)77(126)110-64(38-70(121)122)84(133)113-72(47(5)6)87(136)97-41-68(118)101-65(42-115)85(134)109-63(37-67(93)117)82(131)105-57(89(138)139)25-17-19-31-91/h10-15,20-23,39-40,43-49,54-65,71-73,115H,16-19,24-38,41-42,90-91,94H2,1-9H3,(H2,92,116)(H2,93,117)(H,95,98)(H,96,99)(H,97,136)(H,100,127)(H,101,118)(H,102,123)(H,103,125)(H,104,129)(H,105,131)(H,106,124)(H,107,128)(H,108,130)(H,109,134)(H,110,126)(H,111,135)(H,112,137)(H,113,133)(H,114,132)(H,119,120)(H,121,122)(H,138,139)/t49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-/m0/s1 | PDB
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| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method |
J Med Chem 60: 5749-5758 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00428
BindingDB Entry DOI: 10.7270/Q29W0HW7 |
More data for this
Ligand-Target Pair | |
Transthyretin
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB
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| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method |
J Med Chem 60: 5749-5758 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00428
BindingDB Entry DOI: 10.7270/Q29W0HW7 |
More data for this
Ligand-Target Pair | |
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