Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50038985 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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| 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 | |
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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| 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
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KEGG
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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 | |
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
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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
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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)) | 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
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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 | |
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 | |
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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| 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 | |
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 | |
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
Reactome pathway
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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 | |
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
Reactome pathway
KEGG
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Similars
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PubMed
| 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 | |
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
KEGG
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| Article
PubMed
| 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
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| 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 | |
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
Reactome pathway
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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)) | 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
KEGG
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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 | |
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
KEGG
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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 | |
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
KEGG
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PubMed
| 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
Reactome pathway
KEGG
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PubMed
| 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)) | 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
KEGG
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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
KEGG
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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
KEGG
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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 | |
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 | |
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
KEGG
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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
KEGG
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| Article
PubMed
| 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)) | 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
Reactome pathway
KEGG
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UniChem
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PubMed
| 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]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)) | 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
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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]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)) | BDBM50302215
(7-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-y...)Show SMILES Fc1ccc2[nH]c3CC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)CCc3c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-16-5-7-19-18(13-16)17-6-4-15(12-21(17)26-19)14-28-8-10-29(11-9-28)22-3-1-2-20-23(22)31-24(30)27-20/h1-3,5,7,13,15,26H,4,6,8-12,14H2,(H,27,30) | PDB
KEGG
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| 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]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)) | 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
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| 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]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)) | 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
Reactome pathway
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PC sid
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PubMed
| 100 | 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 2B
(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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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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)) | 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
Reactome pathway
KEGG
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| Article
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| 120 | 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 2B
(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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PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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)) | 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
MMDB
Reactome pathway
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PubMed
| 130 | 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 2B
(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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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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)) | 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
Reactome pathway
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| 140 | 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 2B
(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
Reactome pathway
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PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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)) | BDBM50302215
(7-(4-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-y...)Show SMILES Fc1ccc2[nH]c3CC(CN4CCN(CC4)c4cccc5[nH]c(=O)oc45)CCc3c2c1 Show InChI InChI=1S/C24H25FN4O2/c25-16-5-7-19-18(13-16)17-6-4-15(12-21(17)26-19)14-28-8-10-29(11-9-28)22-3-1-2-20-23(22)31-24(30)27-20/h1-3,5,7,13,15,26H,4,6,8-12,14H2,(H,27,30) | PDB
Reactome pathway
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| 220 | 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)) | BDBM50302219
(7-(1-(2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3...)Show SMILES Fc1ccc2[nH]c3CCC(CCN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-17-5-7-22-20(15-17)19-14-16(4-6-21(19)28-22)8-11-30-12-9-18(10-13-30)32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,15-16,18,28H,4,6,8-14H2,(H,29,31) | PDB
Reactome pathway
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| 310 | 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)) | 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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| 460 | 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)) | 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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UniChem
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PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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 2B
(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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UniChem
Similars
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PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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 2B
(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
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to 5-HT2B 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)) | 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
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
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PubMed
| 720 | 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 | |
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