Found 5193 hits with Last Name = 'an' and Initial = 'jy' 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)) | BDBM50334730
(3-(Naphthalen-1-ylsulfonyl)-5-(piperazin-1-ylmethy...)Show SMILES O=S(=O)(c1n[nH]c2ccc(CN3CCNCC3)cc12)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,21-7-3-5-17-4-1-2-6-18(17)21)22-19-14-16(8-9-20(19)24-25-22)15-26-12-10-23-11-13-26/h1-9,14,23H,10-13,15H2,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528793
(CHEMBL4471708)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2ccc(O)cc12)C(F)(F)F Show InChI InChI=1S/C33H35F3N4O2/c1-39(2)32(21-23-7-4-3-5-8-23)15-17-40(18-16-32)30-19-26(33(34,35)36)13-11-25(30)22-37-31(42)38-29-10-6-9-24-12-14-27(41)20-28(24)29/h3-14,19-20,41H,15-18,21-22H2,1-2H3,(H2,37,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28574
(1-sulfonylindazole, 6c | 3-amino-N-[1-(naphthalene...)Show SMILES NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H18N4O3S/c21-11-10-20(25)23-16-9-8-15-13-22-24(18(15)12-16)28(26,27)19-7-3-5-14-4-1-2-6-17(14)19/h1-9,12-13H,10-11,21H2,(H,23,25) | PDB
Reactome pathway
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.5 | -52.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2413-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.071
BindingDB Entry DOI: 10.7270/Q28K77CF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334734
(3-(Naphthalen-2-ylsulfonyl)-N-(piperidin-4-yl)-1H-...)Show SMILES O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,19-7-5-15-3-1-2-4-16(15)13-19)22-20-14-18(6-8-21(20)25-26-22)24-17-9-11-23-12-10-17/h1-8,13-14,17,23-24H,9-12H2,(H,25,26) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528804
(CHEMBL4553702)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2cnccc12)C(F)(F)F Show InChI InChI=1S/C32H34F3N5O/c1-39(2)31(20-23-7-4-3-5-8-23)14-17-40(18-15-31)29-19-26(32(33,34)35)12-11-25(29)22-37-30(41)38-28-10-6-9-24-21-36-16-13-27(24)28/h3-13,16,19,21H,14-15,17-18,20,22H2,1-2H3,(H2,37,38,41) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334731
(CHEMBL1642851 | [3-(Naphthalen-1-sulfonyl)-1H-inda...)Show SMILES O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,21-7-3-5-15-4-1-2-6-18(15)21)22-19-14-17(8-9-20(19)25-26-22)24-16-10-12-23-13-11-16/h1-9,14,16,23-24H,10-13H2,(H,25,26) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334754
(CHEMBL1642883 | N-(Piperidin-4-yl)-3-(m-tolylsulfo...)Show SMILES Cc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12 Show InChI InChI=1S/C19H22N4O2S/c1-13-3-2-4-16(11-13)26(24,25)19-17-12-15(5-6-18(17)22-23-19)21-14-7-9-20-10-8-14/h2-6,11-12,14,20-21H,7-10H2,1H3,(H,22,23) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448144
(CHEMBL3122212)Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3 | PDB
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330507
(5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-...)Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(C)c1 Show InChI InChI=1S/C19H22N4O2S/c1-14-4-3-5-16(12-14)26(24,25)19-17-13-15(6-7-18(17)20-21-19)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,20,21) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528797
(CHEMBL4438643)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2CCC(O)Cc12)C(F)(F)F Show InChI InChI=1S/C33H39F3N4O2/c1-39(2)32(21-23-7-4-3-5-8-23)15-17-40(18-16-32)30-19-26(33(34,35)36)13-11-25(30)22-37-31(42)38-29-10-6-9-24-12-14-27(41)20-28(24)29/h3-11,13,19,27,41H,12,14-18,20-22H2,1-2H3,(H2,37,38,42) | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
MMDB
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CHEMBL
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PC cid
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PDB
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| DrugBank
PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 103: 3153-8 (2006)
Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334732
(3-(3-Chlorophenylsulfonyl)-N-(piperidin-4-yl)-1H-i...)Show SMILES Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12 Show InChI InChI=1S/C18H19ClN4O2S/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)22-23-18)21-13-6-8-20-9-7-13/h1-5,10-11,13,20-21H,6-9H2,(H,22,23) | PDB
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| Article
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334733
(3-(4-Isopropylphenylsulfonyl)-N-(piperidin-4-yl)-1...)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12 Show InChI InChI=1S/C21H26N4O2S/c1-14(2)15-3-6-18(7-4-15)28(26,27)21-19-13-17(5-8-20(19)24-25-21)23-16-9-11-22-12-10-16/h3-8,13-14,16,22-23H,9-12H2,1-2H3,(H,24,25) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240887
(CHEMBL4066731)Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 |r| Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330538
(3-(3-Chlorophenylsulfonyl)-5-(4-methylpiperazin-1-...)Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H19ClN4O2S/c1-22-7-9-23(10-8-22)14-5-6-17-16(12-14)18(21-20-17)26(24,25)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3,(H,20,21) | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330512
(3-(Naphthalen-1-ylsulfonyl)-5-(piperazin-1-yl)-1H-...)Show SMILES O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12 Show InChI InChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24) | PDB
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PC cid
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334725
(CHEMBL1642866 | N-(3-(Naphthalen-1-ylsulfonyl)-1H-...)Show SMILES O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1 Show InChI InChI=1S/C23H22N4O3S/c28-22(16-10-12-24-13-11-16)25-17-8-9-20-19(14-17)23(27-26-20)31(29,30)21-7-3-5-15-4-1-2-6-18(15)21/h1-9,14,16,24H,10-13H2,(H,25,28)(H,26,27) | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330505
(3-(3-Methoxyphenylsulfonyl)-5-(4-methylpiperazin-1...)Show SMILES COc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCN(C)CC1 Show InChI InChI=1S/C19H22N4O3S/c1-22-8-10-23(11-9-22)14-6-7-18-17(12-14)19(21-20-18)27(24,25)16-5-3-4-15(13-16)26-2/h3-7,12-13H,8-11H2,1-2H3,(H,20,21) | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28575
(1-sulfonylindazole, 6d | 3-(methylamino)-N-[1-(nap...)Show SMILES CNCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H20N4O3S/c1-22-12-11-21(26)24-17-10-9-16-14-23-25(19(16)13-17)29(27,28)20-8-4-6-15-5-2-3-7-18(15)20/h2-10,13-14,22H,11-12H2,1H3,(H,24,26) | PDB
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PubMed
| 1.20 | -50.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2413-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.071
BindingDB Entry DOI: 10.7270/Q28K77CF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28580
(1-sulfonylindazole, 7b | N-[1-(naphthalene-1-sulfo...)Show SMILES O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1 Show InChI InChI=1S/C23H22N4O3S/c28-23(18-7-4-12-24-14-18)26-19-11-10-17-15-25-27(21(17)13-19)31(29,30)22-9-3-6-16-5-1-2-8-20(16)22/h1-3,5-6,8-11,13,15,18,24H,4,7,12,14H2,(H,26,28) | PDB
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PubMed
| 1.30 | -50.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2413-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.071
BindingDB Entry DOI: 10.7270/Q28K77CF |
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
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CHEMBL
MCE
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UniChem
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448157
(CHEMBL3122215)Show InChI InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334747
(CHEMBL1642849 | N1-(3-(Naphthalen-1-ylsulfonyl)-1H...)Show SMILES CC(N)CNc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H20N4O2S/c1-13(21)12-22-15-9-10-18-17(11-15)20(24-23-18)27(25,26)19-8-4-6-14-5-2-3-7-16(14)19/h2-11,13,22H,12,21H2,1H3,(H,23,24) | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330523
(1-isobutyl-5-(4-methylpiperazin-1-yl)-3-(naphthale...)Show SMILES CC(C)Cn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H30N4O2S/c1-19(2)18-30-24-12-11-21(29-15-13-28(3)14-16-29)17-23(24)26(27-30)33(31,32)25-10-6-8-20-7-4-5-9-22(20)25/h4-12,17,19H,13-16,18H2,1-3H3 | PDB
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240900
(CHEMBL4091620)Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r| Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334720
(3-Amino-N-[3-(naphthalen-1-sulfonyl)-1H-indazol-5-...)Show SMILES NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H18N4O3S/c21-11-10-19(25)22-14-8-9-17-16(12-14)20(24-23-17)28(26,27)18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11,21H2,(H,22,25)(H,23,24) | PDB
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334757
(CHEMBL1642887 | N-(Piperidin-4-yl)-3-(4-(trifluoro...)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12 Show InChI InChI=1S/C19H19F3N4O2S/c20-19(21,22)12-1-4-15(5-2-12)29(27,28)18-16-11-14(3-6-17(16)25-26-18)24-13-7-9-23-10-8-13/h1-6,11,13,23-24H,7-10H2,(H,25,26) | PDB
Reactome pathway
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330516
(1-methyl-3-(naphthalen-1-ylsulfonyl)-5-(piperazin-...)Show SMILES Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c1-25-20-10-9-17(26-13-11-23-12-14-26)15-19(20)22(24-25)29(27,28)21-8-4-6-16-5-2-3-7-18(16)21/h2-10,15,23H,11-14H2,1H3 | PDB
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PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330511
(5-(4-Methylpiperazin-1-yl)-3-(1-naphthalenesulfony...)Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c1-25-11-13-26(14-12-25)17-9-10-20-19(15-17)22(24-23-20)29(27,28)21-8-4-6-16-5-2-3-7-18(16)21/h2-10,15H,11-14H2,1H3,(H,23,24) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330535
(3-(3-Fluorophenylsulfonyl)-5-(4-methylpiperazin-1-...)Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H19FN4O2S/c1-22-7-9-23(10-8-22)14-5-6-17-16(12-14)18(21-20-17)26(24,25)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3,(H,20,21) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334716
(3-(Naphthalen-1-ylsulfonyl)-N-(piperidin-5-yl)-1H-...)Show SMILES O=S(=O)(c1n[nH]c2ccc(NC3CCCNC3)cc12)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c27-29(28,21-9-3-6-15-5-1-2-8-18(15)21)22-19-13-16(10-11-20(19)25-26-22)24-17-7-4-12-23-14-17/h1-3,5-6,8-11,13,17,23-24H,4,7,12,14H2,(H,25,26) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50528802
(CHEMBL4562769)Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F Show InChI InChI=1S/C32H34F3N5O2/c1-39(2)31(20-22-7-4-3-5-8-22)15-17-40(18-16-31)28-19-24(32(33,34)35)12-11-23(28)21-36-30(42)38-27-10-6-9-26-25(27)13-14-29(41)37-26/h3-14,19H,15-18,20-21H2,1-2H3,(H,37,41)(H2,36,38,42) | PDB
MMDB
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330515
(1-methyl-5-(4-methylpiperazin-1-yl)-3-(naphthalen-...)Show SMILES CN1CCN(CC1)c1ccc2n(C)nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c1-25-12-14-27(15-13-25)18-10-11-21-20(16-18)23(24-26(21)2)30(28,29)22-9-5-7-17-6-3-4-8-19(17)22/h3-11,16H,12-15H2,1-2H3 | PDB
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UniChem
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PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330517
(1-ethyl-5-(4-methylpiperazin-1-yl)-3-(naphthalen-1...)Show SMILES CCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H26N4O2S/c1-3-28-22-12-11-19(27-15-13-26(2)14-16-27)17-21(22)24(25-28)31(29,30)23-10-6-8-18-7-4-5-9-20(18)23/h4-12,17H,3,13-16H2,1-2H3 | PDB
Reactome pathway
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UniChem
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PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330521
(1-isopropyl-5-(4-methylpiperazin-1-yl)-3-(naphthal...)Show SMILES CC(C)n1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c1-18(2)29-23-12-11-20(28-15-13-27(3)14-16-28)17-22(23)25(26-29)32(30,31)24-10-6-8-19-7-4-5-9-21(19)24/h4-12,17-18H,13-16H2,1-3H3 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330519
(5-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfo...)Show SMILES CCCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H28N4O2S/c1-3-13-29-23-12-11-20(28-16-14-27(2)15-17-28)18-22(23)25(26-29)32(30,31)24-10-6-8-19-7-4-5-9-21(19)24/h4-12,18H,3,13-17H2,1-2H3 | PDB
Reactome pathway
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UniChem
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28576
(1-sulfonylindazole, 6e | 3-(dimethylamino)-N-[1-(n...)Show SMILES CN(C)CCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O3S/c1-25(2)13-12-22(27)24-18-11-10-17-15-23-26(20(17)14-18)30(28,29)21-9-5-7-16-6-3-4-8-19(16)21/h3-11,14-15H,12-13H2,1-2H3,(H,24,27) | PDB
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PubMed
| 1.80 | -49.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2413-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.071
BindingDB Entry DOI: 10.7270/Q28K77CF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330533
(5-(4-methylpiperazin-1-yl)-3-(phenylsulfonyl)-1H-i...)Show SMILES CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H20N4O2S/c1-21-9-11-22(12-10-21)14-7-8-17-16(13-14)18(20-19-17)25(23,24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,20) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330518
(1-ethyl-3-(naphthalen-1-ylsulfonyl)-5-(piperazin-1...)Show SMILES CCn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c1-2-27-21-11-10-18(26-14-12-24-13-15-26)16-20(21)23(25-27)30(28,29)22-9-5-7-17-6-3-4-8-19(17)22/h3-11,16,24H,2,12-15H2,1H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 103: 3153-8 (2006)
Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 103: 3153-8 (2006)
Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 103: 3153-8 (2006)
Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 103: 3153-8 (2006)
Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330525
(1-benzyl-5-(4-methylpiperazin-1-yl)-3-(naphthalen-...)Show SMILES CN1CCN(CC1)c1ccc2n(Cc3ccccc3)nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C29H28N4O2S/c1-31-16-18-32(19-17-31)24-14-15-27-26(20-24)29(30-33(27)21-22-8-3-2-4-9-22)36(34,35)28-13-7-11-23-10-5-6-12-25(23)28/h2-15,20H,16-19,21H2,1H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28577
(1-sulfonylindazole, 6f | 3-(diethylamino)-N-[1-(na...)Show SMILES CCN(CC)CCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H26N4O3S/c1-3-27(4-2)15-14-24(29)26-20-13-12-19-17-25-28(22(19)16-20)32(30,31)23-11-7-9-18-8-5-6-10-21(18)23/h5-13,16-17H,3-4,14-15H2,1-2H3,(H,26,29) | PDB
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| 2.10 | -49.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2413-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.071
BindingDB Entry DOI: 10.7270/Q28K77CF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50330520
(3-(naphthalen-1-ylsulfonyl)-5-(piperazin-1-yl)-1-p...)Show SMILES CCCn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H26N4O2S/c1-2-14-28-22-11-10-19(27-15-12-25-13-16-27)17-21(22)24(26-28)31(29,30)23-9-5-7-18-6-3-4-8-20(18)23/h3-11,17,25H,2,12-16H2,1H3 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells |
J Med Chem 53: 7639-46 (2010)
Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50334756
(3-(4-Chlorophenylsulfonyl)-N-(piperidin-4-yl)-1H-i...)Show SMILES Clc1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12 Show InChI InChI=1S/C18H19ClN4O2S/c19-12-1-4-15(5-2-12)26(24,25)18-16-11-14(3-6-17(16)22-23-18)21-13-7-9-20-10-8-13/h1-6,11,13,20-21H,7-10H2,(H,22,23) | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells |
Bioorg Med Chem 19: 650-62 (2011)
Article DOI: 10.1016/j.bmc.2010.10.033
BindingDB Entry DOI: 10.7270/Q29S1R9V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28579
(1-sulfonylindazole, 7a | N-[1-(naphthalene-1-sulfo...)Show SMILES O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1 Show InChI InChI=1S/C23H22N4O3S/c28-23(17-10-12-24-13-11-17)26-19-9-8-18-15-25-27(21(18)14-19)31(29,30)22-7-3-5-16-4-1-2-6-20(16)22/h1-9,14-15,17,24H,10-13H2,(H,26,28) | PDB
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| 2.30 | -48.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2413-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.071
BindingDB Entry DOI: 10.7270/Q28K77CF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM34141
(CHEMBL76237 | MS-245)Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells |
Bioorg Med Chem Lett 19: 3214-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.108
BindingDB Entry DOI: 10.7270/Q2377927 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448161
(CHEMBL3122210)Show InChI InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
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