Found 304 hits with Last Name = 'serafinowska' and Initial = 'ht' 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 1D
(Homo sapiens (Human)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1B receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219087
(CHEMBL97637)Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c30-32(31,22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-21-8-11-24-23(18-21)25(12-13-27-24)29-16-14-26-15-17-29/h1-13,18,26,28H,14-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219087
(CHEMBL97637)Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c30-32(31,22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-21-8-11-24-23(18-21)25(12-13-27-24)29-16-14-26-15-17-29/h1-13,18,26,28H,14-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219081
(CHEMBL261917)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50130286
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1 Show InChI InChI=1S/C21H24ClN3O3S2/c1-14-17-12-15(22)4-7-20(17)29-21(14)30(26,27)23-16-5-6-19(28-3)18(13-16)25-10-8-24(2)9-11-25/h4-7,12-13,23H,8-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n... |
Bioorg Med Chem Lett 12: 1357-60 (2002)
BindingDB Entry DOI: 10.7270/Q2NK3H7V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219081
(CHEMBL261917)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H28N4O2S/c1-23(2,3)17-4-7-19(8-5-17)30(28,29)26-18-6-9-21-20(16-18)22(10-11-25-21)27-14-12-24-13-15-27/h4-11,16,24,26H,12-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412434
(CHEMBL483365)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C26H30N4O2/c1-19-8-10-21-22(27-19)6-4-7-24(21)30-15-13-29(14-16-30)12-3-2-5-20-9-11-25-23(17-20)28-26(31)18-32-25/h4,6-11,17H,2-3,5,12-16,18H2,1H3,(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50001824
(CHEMBL282971)Show SMILES [H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n... |
Bioorg Med Chem Lett 12: 1357-60 (2002)
BindingDB Entry DOI: 10.7270/Q2NK3H7V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50130270
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1 Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n... |
Bioorg Med Chem Lett 12: 1357-60 (2002)
BindingDB Entry DOI: 10.7270/Q2NK3H7V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219084
(CHEMBL97596)Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H21ClN4O2S/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28/h1-9,14-15,25,27H,10-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219089
(CHEMBL318018)Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219084
(CHEMBL97596)Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H21ClN4O2S/c24-21-3-1-2-16-14-18(5-6-19(16)21)31(29,30)27-17-4-7-22-20(15-17)23(8-9-26-22)28-12-10-25-11-13-28/h1-9,14-15,25,27H,10-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219089
(CHEMBL318018)Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219083
(CHEMBL316081)Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412939
(CHEMBL479463 | GSK-256471)Show SMILES CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H28FN3O3S/c1-33(37(2,35)36)18-24-26(29(34)32-27(20-15-16-20)21-11-8-12-22(30)17-21)23-13-6-7-14-25(23)31-28(24)19-9-4-3-5-10-19/h3-14,17,20,27H,15-16,18H2,1-2H3,(H,32,34)/t27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219083
(CHEMBL316081)Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-15-18-13-16(24)3-6-22(18)31-23(15)32(29,30)26-17-4-5-20-19(14-17)21(7-8-25-20)28-11-9-27(2)10-12-28/h3-8,13-14,26H,9-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412941
(CHEMBL521416)Show SMILES CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H28FN3O3S/c1-4-24(20-13-10-14-21(29)17-20)31-28(33)26-22-15-8-9-16-25(22)30-27(19-11-6-5-7-12-19)23(26)18-32(2)36(3,34)35/h5-17,24H,4,18H2,1-3H3,(H,31,33)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412940
(CHEMBL519770)Show SMILES CC[C@H](NC(=O)c1c(CN(C)S(C)(=O)=O)c(nc2ccccc12)-c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C28H28FN3O3S/c1-4-24(19-11-6-5-7-12-19)31-28(33)26-22-15-8-9-16-25(22)30-27(20-13-10-14-21(29)17-20)23(26)18-32(2)36(3,34)35/h5-17,24H,4,18H2,1-3H3,(H,31,33)/t24-/m0/s1 | PDB
Reactome pathway
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| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219082
(CHEMBL95823)Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219085
(CHEMBL97211)Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219086
(CHEMBL98965)Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219090
(CHEMBL95388)Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C21H23ClN4O2S/c1-14-12-21(15(2)11-18(14)22)29(27,28)25-16-3-4-19-17(13-16)20(5-6-24-19)26-9-7-23-8-10-26/h3-6,11-13,23,25H,7-10H2,1-2H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28583
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219085
(CHEMBL97211)Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219086
(CHEMBL98965)Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219082
(CHEMBL95823)Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28583
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3 | PDB
Reactome pathway
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]LSD as radioligand; n=3 |
Bioorg Med Chem Lett 12: 1357-60 (2002)
BindingDB Entry DOI: 10.7270/Q2NK3H7V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50412114
(CHEMBL183460 | SB-649915)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30) | PDB
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412942
(CHEMBL480249)Show SMILES CN(Cc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1ccccc1)-c1ccccc1)S(C)(=O)=O |r| Show InChI InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1 | PDB
Reactome pathway
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219096
(CHEMBL99982)Show SMILES CC(C)c1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C24H25ClN4O2S2/c1-15(2)23-19-13-16(25)3-6-22(19)32-24(23)33(30,31)28-17-4-5-20-18(14-17)21(7-8-27-20)29-11-9-26-10-12-29/h3-8,13-15,26,28H,9-12H2,1-2H3 | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219100
(CHEMBL95878)Show SMILES Ic1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C19H19IN4O2S/c20-14-1-4-16(5-2-14)27(25,26)23-15-3-6-18-17(13-15)19(7-8-22-18)24-11-9-21-10-12-24/h1-8,13,21,23H,9-12H2 | PDB
Reactome pathway
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50001825
(CHEMBL97158 | SB-331711)Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412943
(CHEMBL480818)Show SMILES CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H23N3O/c1-2-20(17-11-5-3-6-12-17)28-25(29)22-19-15-9-10-16-21(19)27-24(23(22)26)18-13-7-4-8-14-18/h3-16,20H,2,26H2,1H3,(H,28,29)/t20-/m0/s1 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50001825
(CHEMBL97158 | SB-331711)Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219095
(CHEMBL94988)Show SMILES [H][C@@]12CCCN1CCN(C2)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C25H25ClN4O2S2/c1-16-20-13-17(26)4-7-24(20)33-25(16)34(31,32)28-18-5-6-22-21(14-18)23(8-9-27-22)30-12-11-29-10-2-3-19(29)15-30/h4-9,13-14,19,28H,2-3,10-12,15H2,1H3/t19-/m0/s1 | PDB
Reactome pathway
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PC sid
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219099
(CHEMBL98353)Show SMILES Cc1sc2c(Cl)cccc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-22(16-3-2-4-18(23)21(16)30-14)31(28,29)26-15-5-6-19-17(13-15)20(7-8-25-19)27-11-9-24-10-12-27/h2-8,13,24,26H,9-12H2,1H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219127
(CHEMBL316643)Show SMILES C[C@@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 |r| Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m1/s1 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219128
(CHEMBL95568)Show SMILES Cc1sc2c(Cl)cc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H20Cl2N4O2S2/c1-13-22(17-10-14(23)11-18(24)21(17)31-13)32(29,30)27-15-2-3-19-16(12-15)20(4-5-26-19)28-8-6-25-7-9-28/h2-5,10-12,25,27H,6-9H2,1H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219098
(CHEMBL97899)Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2ncc(C)c(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H23ClN4O2S2/c1-14-13-26-20-5-4-17(12-19(20)22(14)28-9-7-25-8-10-28)27-32(29,30)23-15(2)18-11-16(24)3-6-21(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412114
(CHEMBL183460 | SB-649915)Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50412440
(CHEMBL485395)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C25H28N4O2/c1-18-7-9-20-21(26-18)5-2-6-23(20)29-14-12-28(13-15-29)11-3-4-19-8-10-24-22(16-19)27-25(30)17-31-24/h2,5-10,16H,3-4,11-15,17H2,1H3,(H,27,30) | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412944
(CHEMBL479652)Show SMILES Nc1c(nc2ccccc2c1C(=O)N[C@@H](C1CC1)c1cccc(F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H22FN3O/c27-19-10-6-9-18(15-19)24(17-13-14-17)30-26(31)22-20-11-4-5-12-21(20)29-25(23(22)28)16-7-2-1-3-8-16/h1-12,15,17,24H,13-14,28H2,(H,30,31)/t24-/m0/s1 | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219092
(CHEMBL329482)Show SMILES Clc1cccc2c(cccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C23H21ClN4O2S/c24-20-5-1-4-18-17(20)3-2-6-23(18)31(29,30)27-16-7-8-21-19(15-16)22(9-10-26-21)28-13-11-25-12-14-28/h1-10,15,25,27H,11-14H2 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50412945
(CHEMBL516441)Show SMILES CC[C@H](NC(=O)c1c(N)c(nc2ccccc12)-c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C25H22FN3O/c1-2-20(16-9-4-3-5-10-16)29-25(30)22-19-13-6-7-14-21(19)28-24(23(22)27)17-11-8-12-18(26)15-17/h3-15,20H,2,27H2,1H3,(H,29,30)/t20-/m0/s1 | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience CEDD GlaxoSmithKline Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to NK3 receptor |
Bioorg Med Chem Lett 19: 837-40 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.005
BindingDB Entry DOI: 10.7270/Q20K29S8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50412441
(CHEMBL490417 | SB-744185)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29) | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of [3H]5HT reuptake at SERT in rat cortical synaptosomes |
Bioorg Med Chem Lett 18: 5581-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219091
(CHEMBL318262)Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1 Show InChI InChI=1S/C22H21ClN4O3S/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3 | PDB
Reactome pathway
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219439
(CHEMBL29410)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1 Show InChI InChI=1S/C24H28ClN3O3S2/c1-16-20-13-17(25)6-9-23(20)32-24(16)33(29,30)26-18-7-8-22(31-2)21(14-18)28-12-11-27-10-4-3-5-19(27)15-28/h6-9,13-14,19,26H,3-5,10-12,15H2,1-2H3 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n... |
Bioorg Med Chem Lett 12: 1357-60 (2002)
BindingDB Entry DOI: 10.7270/Q2NK3H7V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50219097
(CHEMBL95511)Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 Show InChI InChI=1S/C24H25ClN4O2S2/c1-14-12-29(13-15(2)27-14)22-8-9-26-21-6-5-18(11-20(21)22)28-33(30,31)24-16(3)19-10-17(25)4-7-23(19)32-24/h4-11,14-15,27-28H,12-13H2,1-3H3/t14-,15+ | PDB
Reactome pathway
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor |
Bioorg Med Chem Lett 11: 2843-6 (2001)
BindingDB Entry DOI: 10.7270/Q2TB192H |
More data for this
Ligand-Target Pair | |
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