Found 1537 hits with Last Name = 'graf' and Initial = 'r' 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 |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302220
(7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31) | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308167
((3R)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-ind...)Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.510 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302225
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
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| Article
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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
Agonist activity at 5-HT2A receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Agonist activity at 5-HT2A receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
Reactome pathway
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| Article
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| 3 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
Reactome pathway
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| 3 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302218
(7-(1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1 Show InChI InChI=1S/C25H26FN3O3/c26-16-5-7-21-19(13-16)18-12-15(4-6-20(18)27-21)14-29-10-8-17(9-11-29)31-23-3-1-2-22-24(23)32-25(30)28-22/h1-3,5,7,13,15,17,27H,4,6,8-12,14H2,(H,28,30) | PDB
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| 3 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
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| DrugBank
Article
PubMed
| 3 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308181
((3S)-1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]pyr...)Show SMILES N[C@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m0/s1 | PDB
Reactome pathway
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| Article
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| 3.06 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308183
(1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]azetidin...)Show SMILES NC1CN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H18N4O2S/c21-14-11-24(12-14)15-8-9-18-17(10-15)20(23-22-18)27(25,26)19-7-3-5-13-4-1-2-6-16(13)19/h1-10,14H,11-12,21H2,(H,22,23) | PDB
Reactome pathway
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| 3.55 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308177
(1-{3-[(4-Methyl-1-naphthyl)sulfonyl]-1H-indazol-5-...)Show SMILES Cc1ccc(c2ccccc12)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCC(N)CC1 Show InChI InChI=1S/C23H24N4O2S/c1-15-6-9-22(19-5-3-2-4-18(15)19)30(28,29)23-20-14-17(7-8-21(20)25-26-23)27-12-10-16(24)11-13-27/h2-9,14,16H,10-13,24H2,1H3,(H,25,26) | PDB
Reactome pathway
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| 3.62 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308175
(1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]piperidi...)Show SMILES NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N4O2S/c23-16-10-12-26(13-11-16)17-8-9-20-19(14-17)22(25-24-20)29(27,28)21-7-3-5-15-4-1-2-6-18(15)21/h1-9,14,16H,10-13,23H2,(H,24,25) | PDB
Reactome pathway
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| Article
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| 4.27 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308182
((3R)-1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]pyr...)Show SMILES N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m1/s1 | PDB
Reactome pathway
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PubMed
| 4.46 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308178
(1-{3-[(5-Chloro-1-naphthyl)sulfonyl]-1H-indazol-5-...)Show SMILES NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2c(Cl)cccc12 Show InChI InChI=1S/C22H21ClN4O2S/c23-19-5-1-4-17-16(19)3-2-6-21(17)30(28,29)22-18-13-15(7-8-20(18)25-26-22)27-11-9-14(24)10-12-27/h1-8,13-14H,9-12,24H2,(H,25,26) | PDB
Reactome pathway
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| 4.52 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50302212
((3S)-3-((3-( 6-fluoro-2,3,4,9-tetrahydro-1H-carbaz...)Show SMILES Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C26H28FN3O3/c27-16-4-6-21-19(11-16)18-5-3-15(10-23(18)29-21)2-1-9-28-13-17-14-32-26-20-12-25(31)30-22(20)7-8-24(26)33-17/h4,6-8,11,15,17,28-29H,1-3,5,9-10,12-14H2,(H,30,31)/t15?,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC cid
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UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Agonist activity at 5-HT2A receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
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| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition mea... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
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| 7 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
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| 7 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302224
(7-((1R,4R)-5-((6-fluoro-2,3,4,9-tetrahydro-1H-carb...)Show SMILES Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r| Show InChI InChI=1S/C25H25FN4O2/c26-15-5-7-21-19(9-15)18-8-14(4-6-20(18)27-21)11-29-12-17-10-16(29)13-30(17)23-3-1-2-22-24(23)32-25(31)28-22/h1-3,5,7,9,14,16-17,27H,4,6,8,10-13H2,(H,28,31)/t14?,16-,17-/m1/s1 | PDB
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| 8 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308179
(1-(3-(3-chlorophenylsulfonyl)-1H-indazol-5-yl)pipe...)Show SMILES NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H19ClN4O2S/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)21-22-18)23-8-6-13(20)7-9-23/h1-5,10-11,13H,6-9,20H2,(H,21,22) | PDB
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| 8.04 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302221
(7-((1-(2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CCN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C27H30FN3O3/c28-19-5-7-23-21(15-19)20-14-17(4-6-22(20)29-23)8-11-31-12-9-18(10-13-31)16-33-25-3-1-2-24-26(25)34-27(32)30-24/h1-3,5,7,15,17-18,29H,4,6,8-14,16H2,(H,30,32) | PDB
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| 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50378462
(CHEMBL1237149)Show SMILES Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r,THB:18:17:11.12:14,10:11:14:16.17| Show InChI InChI=1S/C25H25FN4O2/c26-15-5-7-21-19(9-15)18-8-14(4-6-20(18)27-21)11-29-12-17-10-16(29)13-30(17)23-3-1-2-22-24(23)32-25(31)28-22/h1-3,5,7,9,14,16-17,27H,4,6,8,10-13H2,(H,28,31)/t14?,16-,17-/m1/s1 | PDB
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| 12 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308180
(1-{3-[(4-Isopropylphenyl)sulfonyl]-1H-indazol-5-yl...)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCC(N)CC1 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)23-24-21)25-11-9-16(22)10-12-25/h3-8,13-14,16H,9-12,22H2,1-2H3,(H,23,24) | PDB
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| 13.1 | 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 5HT6 receptor by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308170
((3R)-1-[1-(1-Methylethyl)-3-(naphthalen-1-ylsulfon...)Show SMILES CC(C)n1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H26N4O2S/c1-16(2)28-22-11-10-19(27-13-12-18(25)15-27)14-21(22)24(26-28)31(29,30)23-9-5-7-17-6-3-4-8-20(17)23/h3-11,14,16,18H,12-13,15,25H2,1-2H3/t18-/m1/s1 | PDB
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| 13.7 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302224
(7-((1R,4R)-5-((6-fluoro-2,3,4,9-tetrahydro-1H-carb...)Show SMILES Fc1ccc2[nH]c3CCC(CN4C[C@H]5C[C@@H]4CN5c4cccc5[nH]c(=O)oc45)Cc3c2c1 |r| Show InChI InChI=1S/C25H25FN4O2/c26-15-5-7-21-19(9-15)18-8-14(4-6-20(18)27-21)11-29-12-17-10-16(29)13-30(17)23-3-1-2-22-24(23)32-25(31)28-22/h1-3,5,7,9,14,16-17,27H,4,6,8,10-13H2,(H,28,31)/t14?,16-,17-/m1/s1 | PDB
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| 14 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302223
(4-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5NC(=O)Cc45)Cc3c2c1 Show InChI InChI=1S/C25H27FN4O/c26-17-5-7-23-19(13-17)18-12-16(4-6-22(18)27-23)15-29-8-10-30(11-9-29)24-3-1-2-21-20(24)14-25(31)28-21/h1-3,5,7,13,16,27H,4,6,8-12,14-15H2,(H,28,31) | PDB
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| 15 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302212
((3S)-3-((3-( 6-fluoro-2,3,4,9-tetrahydro-1H-carbaz...)Show SMILES Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C26H28FN3O3/c27-16-4-6-21-19(11-16)18-5-3-15(10-23(18)29-21)2-1-9-28-13-17-14-32-26-20-12-25(31)30-22(20)7-8-24(26)33-17/h4,6-8,11,15,17,28-29H,1-3,5,9-10,12-14H2,(H,30,31)/t15?,17-/m0/s1 | PDB
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| 15 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302212
((3S)-3-((3-( 6-fluoro-2,3,4,9-tetrahydro-1H-carbaz...)Show SMILES Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C26H28FN3O3/c27-16-4-6-21-19(11-16)18-5-3-15(10-23(18)29-21)2-1-9-28-13-17-14-32-26-20-12-25(31)30-22(20)7-8-24(26)33-17/h4,6-8,11,15,17,28-29H,1-3,5,9-10,12-14H2,(H,30,31)/t15?,17-/m0/s1 | PDB
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| 15 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308176
(1-[3-(2-Naphthylsulfonyl)-1H-indazol-5-yl]piperidi...)Show SMILES NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N4O2S/c23-17-9-11-26(12-10-17)18-6-8-21-20(14-18)22(25-24-21)29(27,28)19-7-5-15-3-1-2-4-16(15)13-19/h1-8,13-14,17H,9-12,23H2,(H,24,25) | PDB
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| 18.2 | 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 5HT6 receptor by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302214
((3S)-3-((2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazo...)Show SMILES Fc1ccc2[nH]c3CCC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C25H26FN3O3/c26-15-2-4-21-18(10-15)17-9-14(1-3-20(17)28-21)7-8-27-12-16-13-31-25-19-11-24(30)29-22(19)5-6-23(25)32-16/h2,4-6,10,14,16,27-28H,1,3,7-9,11-13H2,(H,29,30)/t14?,16-/m0/s1 | PDB
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| 21 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50308181
((3S)-1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]pyr...)Show SMILES N[C@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m0/s1 | PDB
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| 21 | 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]5HT from human 5HT2B receptor expressed in CHO cells by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308169
((3R)-1-[1-Methyl-3-(naphthalen-1-ylsulfonyl)-1H-in...)Show SMILES Cn1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22N4O2S/c1-25-20-10-9-17(26-12-11-16(23)14-26)13-19(20)22(24-25)29(27,28)21-8-4-6-15-5-2-3-7-18(15)21/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
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| 21.1 | 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 5HT6 receptor by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302214
((3S)-3-((2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazo...)Show SMILES Fc1ccc2[nH]c3CCC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C25H26FN3O3/c26-15-2-4-21-18(10-15)17-9-14(1-3-20(17)28-21)7-8-27-12-16-13-31-25-19-11-24(30)29-22(19)5-6-23(25)32-16/h2,4-6,10,14,16,27-28H,1,3,7-9,11-13H2,(H,29,30)/t14?,16-/m0/s1 | PDB
Reactome pathway
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| 24 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302214
((3S)-3-((2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazo...)Show SMILES Fc1ccc2[nH]c3CCC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C25H26FN3O3/c26-15-2-4-21-18(10-15)17-9-14(1-3-20(17)28-21)7-8-27-12-16-13-31-25-19-11-24(30)29-22(19)5-6-23(25)32-16/h2,4-6,10,14,16,27-28H,1,3,7-9,11-13H2,(H,29,30)/t14?,16-/m0/s1 | PDB
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| 24 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302214
((3S)-3-((2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazo...)Show SMILES Fc1ccc2[nH]c3CCC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C25H26FN3O3/c26-15-2-4-21-18(10-15)17-9-14(1-3-20(17)28-21)7-8-27-12-16-13-31-25-19-11-24(30)29-22(19)5-6-23(25)32-16/h2,4-6,10,14,16,27-28H,1,3,7-9,11-13H2,(H,29,30)/t14?,16-/m0/s1 | PDB
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| 24 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308168
((3S)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-ind...)Show SMILES CN(C)[C@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N4O2S/c1-26(2)18-12-13-27(15-18)17-10-11-21-20(14-17)23(25-24-21)30(28,29)22-9-5-7-16-6-3-4-8-19(16)22/h3-11,14,18H,12-13,15H2,1-2H3,(H,24,25)/t18-/m0/s1 | PDB
Reactome pathway
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| 24.4 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302210
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-19-17(8-14)16-3-1-13(7-21(16)27-19)10-26-11-15-12-30-24-18-9-23(29)28-20(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
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| 25 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302220
(7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31) | PDB
Reactome pathway
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| 28 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302217
(7-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-16-5-7-20-18(13-16)17-12-15(4-6-19(17)26-20)14-28-8-10-29(11-9-28)22-3-1-2-21-23(22)31-24(30)27-21/h1-3,5,7,13,15,26H,4,6,8-12,14H2,(H,27,30) | PDB
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| 32 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302217
(7-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)Cc3c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-16-5-7-20-18(13-16)17-12-15(4-6-19(17)26-20)14-28-8-10-29(11-9-28)22-3-1-2-21-23(22)31-24(30)27-21/h1-3,5,7,13,15,26H,4,6,8-12,14H2,(H,27,30) | PDB
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| 32 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302211
((3S)-3-((2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazo...)Show SMILES Fc1ccc2[nH]c3CC(CCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C25H26FN3O3/c26-15-2-4-20-18(10-15)17-3-1-14(9-22(17)28-20)7-8-27-12-16-13-31-25-19-11-24(30)29-21(19)5-6-23(25)32-16/h2,4-6,10,14,16,27-28H,1,3,7-9,11-13H2,(H,29,30)/t14?,16-/m0/s1 | PDB
Reactome pathway
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| 36 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308171
((3R)-1-[1-(2-Methylpropyl)-3-(naphthalen-1-ylsulfo...)Show SMILES CC(C)Cn1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H28N4O2S/c1-17(2)15-29-23-11-10-20(28-13-12-19(26)16-28)14-22(23)25(27-29)32(30,31)24-9-5-7-18-6-3-4-8-21(18)24/h3-11,14,17,19H,12-13,15-16,26H2,1-2H3/t19-/m1/s1 | PDB
Reactome pathway
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| 36.9 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302222
(7-((4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCN(Cc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C25H27FN4O2/c26-18-5-7-22-20(13-18)19-12-16(4-6-21(19)27-22)14-29-8-10-30(11-9-29)15-17-2-1-3-23-24(17)32-25(31)28-23/h1-3,5,7,13,16,27H,4,6,8-12,14-15H2,(H,28,31) | PDB
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| 41 | 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]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
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Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition me... |
Bioorg Med Chem Lett 22: 1433-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.027
BindingDB Entry DOI: 10.7270/Q2C829SK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308173
((3R)-1-[2-(1-Methylethyl)-3-(naphthalen-1-ylsulfon...)Show SMILES CC(C)n1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H26N4O2S/c1-16(2)28-24(31(29,30)23-9-5-7-17-6-3-4-8-20(17)23)21-14-19(10-11-22(21)26-28)27-13-12-18(25)15-27/h3-11,14,16,18H,12-13,15,25H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway
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| 48.7 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302212
((3S)-3-((3-( 6-fluoro-2,3,4,9-tetrahydro-1H-carbaz...)Show SMILES Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C26H28FN3O3/c27-16-4-6-21-19(11-16)18-5-3-15(10-23(18)29-21)2-1-9-28-13-17-14-32-26-20-12-25(31)30-22(20)7-8-24(26)33-17/h4,6-8,11,15,17,28-29H,1-3,5,9-10,12-14H2,(H,30,31)/t15?,17-/m0/s1 | PDB
Reactome pathway
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| 50 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302216
(7-(4-(3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2...)Show SMILES Fc1ccc2[nH]c3CC(CCCN4CCN(CC4)c4cccc5[nH]c(=O)oc45)CCc3c2c1 Show InChI InChI=1S/C26H29FN4O2/c27-18-7-9-21-20(16-18)19-8-6-17(15-23(19)28-21)3-2-10-30-11-13-31(14-12-30)24-5-1-4-22-25(24)33-26(32)29-22/h1,4-5,7,9,16-17,28H,2-3,6,8,10-15H2,(H,29,32) | PDB
Reactome pathway
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| 50 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302212
((3S)-3-((3-( 6-fluoro-2,3,4,9-tetrahydro-1H-carbaz...)Show SMILES Fc1ccc2[nH]c3CC(CCCNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)CCc3c2c1 |r| Show InChI InChI=1S/C26H28FN3O3/c27-16-4-6-21-19(11-16)18-5-3-15(10-23(18)29-21)2-1-9-28-13-17-14-32-26-20-12-25(31)30-22(20)7-8-24(26)33-17/h4,6-8,11,15,17,28-29H,1-3,5,9-10,12-14H2,(H,30,31)/t15?,17-/m0/s1 | PDB
Reactome pathway
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| 50 | 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]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50308172
((3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-in...)Show SMILES Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C22H22N4O2S/c1-25-22(29(27,28)21-8-4-6-15-5-2-3-7-18(15)21)19-13-17(9-10-20(19)24-25)26-12-11-16(23)14-26/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
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| 54.3 | 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 by scintillation counting |
J Med Chem 53: 2521-7 (2010)
Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43 |
More data for this
Ligand-Target Pair | |
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