Found 28 hits of Enzyme Inhibition Constant Data 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)) | BDBM50316949
((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1 | PDB
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| Article
PubMed
| 0.260 | 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 form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
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
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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316948
((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316947
(CHEMBL1087818 | N-(3-(2-(8-((2-oxo-1,2,3,4-tetrahy...)Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C26H33N3O4S/c1-34(31,32)28-22-3-2-4-23(15-22)33-12-11-29-16-20-7-8-21(17-29)24(20)13-18-5-6-19-9-10-26(30)27-25(19)14-18/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3,(H,27,30) | 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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316955
((R)-3-((4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r| Show InChI InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1 | 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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316952
((R)-3-((4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-ylox...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(CC3)Oc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C25H27N3O5/c29-23-6-2-15-1-3-17(11-21(15)27-23)32-16-7-9-28(10-8-16)13-18-14-31-25-19-12-24(30)26-20(19)4-5-22(25)33-18/h1,3-5,11,16,18H,2,6-10,12-14H2,(H,26,30)(H,27,29)/t18-/m1/s1 | PDB
Reactome pathway
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| 2.5 | 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316946
(CHEMBL1087585 | N-(2-fluoro-5-(2-(8-((2-oxo-1,2,3,...)Show SMILES CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C26H32FN3O4S/c1-35(32,33)29-25-14-21(7-8-23(25)27)34-11-10-30-15-19-4-5-20(16-30)22(19)12-17-2-3-18-6-9-26(31)28-24(18)13-17/h2-3,7-8,13-14,19-20,22,29H,4-6,9-12,15-16H2,1H3,(H,28,31) | PDB
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| 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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316948
((R)-7-[8-(2-Oxo-1,2,3,4-tetrahydro-quinolin-7-ylme...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CC4CCC(C3)C4Cc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-5-17-2-1-16(10-24(17)30-26)9-21-18-3-4-19(21)13-31(12-18)14-20-15-34-28-22-11-27(33)29-23(22)6-7-25(28)35-20/h1-2,6-7,10,18-21H,3-5,8-9,11-15H2,(H,29,33)(H,30,32)/t18?,19?,20-,21?/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 6.30 | 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316946
(CHEMBL1087585 | N-(2-fluoro-5-(2-(8-((2-oxo-1,2,3,...)Show SMILES CS(=O)(=O)Nc1cc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C26H32FN3O4S/c1-35(32,33)29-25-14-21(7-8-23(25)27)34-11-10-30-15-19-4-5-20(16-30)22(19)12-17-2-3-18-6-9-26(31)28-24(18)13-17/h2-3,7-8,13-14,19-20,22,29H,4-6,9-12,15-16H2,1H3,(H,28,31) | PDB
Reactome pathway
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PubMed
| 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316955
((R)-3-((4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(Cc4ccc5CCC(=O)Nc5c4)CC3)COc21 |r| Show InChI InChI=1S/C26H29N3O4/c30-24-6-3-18-2-1-17(12-22(18)28-24)11-16-7-9-29(10-8-16)14-19-15-32-26-20-13-25(31)27-21(20)4-5-23(26)33-19/h1-2,4-5,12,16,19H,3,6-11,13-15H2,(H,27,31)(H,28,30)/t19-/m1/s1 | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316956
(7-(4-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1 Show InChI InChI=1S/C24H28N4O4/c29-22-9-7-17-6-8-18(16-20(17)25-22)31-15-2-1-10-27-11-13-28(14-12-27)21-5-3-4-19-23(21)32-24(30)26-19/h3-6,8,16H,1-2,7,9-15H2,(H,25,29)(H,26,30) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 8.30 | 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316957
(7-(4-(3-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1 Show InChI InChI=1S/C23H26N4O4/c28-21-8-6-16-5-7-17(15-19(16)24-21)30-14-2-9-26-10-12-27(13-11-26)20-4-1-3-18-22(20)31-23(29)25-18/h1,3-5,7,15H,2,6,8-14H2,(H,24,28)(H,25,29) | PDB
Reactome pathway
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PubMed
| 8.60 | 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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316958
(7-(4-(2-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)Show SMILES O=C1CCc2ccc(OCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1 Show InChI InChI=1S/C22H24N4O4/c27-20-7-5-15-4-6-16(14-18(15)23-20)29-13-12-25-8-10-26(11-9-25)19-3-1-2-17-21(19)30-22(28)24-17/h1-4,6,14H,5,7-13H2,(H,23,27)(H,24,28) | PDB
Reactome pathway
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PubMed
| 8.60 | 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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316950
(CHEMBL1087872 | N-(2-fluoro-5-(2-(4-(2-oxo-1,2,3,4...)Show SMILES CS(=O)(=O)Nc1cc(OCCN2CCC(CC2)Oc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C23H28FN3O5S/c1-33(29,30)26-22-14-18(5-6-20(22)24)31-13-12-27-10-8-17(9-11-27)32-19-4-2-16-3-7-23(28)25-21(16)15-19/h2,4-6,14-15,17,26H,3,7-13H2,1H3,(H,25,28) | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316954
(CHEMBL1088560 | N-(3-(2-(4-((2-oxo-1,2,3,4-tetrahy...)Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4CCC(=O)Nc4c3)CC2)c1 Show InChI InChI=1S/C24H31N3O4S/c1-32(29,30)26-21-3-2-4-22(17-21)31-14-13-27-11-9-18(10-12-27)15-19-5-6-20-7-8-24(28)25-23(20)16-19/h2-6,16-18,26H,7-15H2,1H3,(H,25,28) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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]spiperone form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316947
(CHEMBL1087818 | N-(3-(2-(8-((2-oxo-1,2,3,4-tetrahy...)Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C26H33N3O4S/c1-34(31,32)28-22-3-2-4-23(15-22)33-12-11-29-16-20-7-8-21(17-29)24(20)13-18-5-6-19-9-10-26(30)27-25(19)14-18/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3,(H,27,30) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 11 | 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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316949
((3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3C4CCC3CC(Cc3ccc5CCC(=O)Nc5c3)C4)COc21 |r| Show InChI InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)/t17?,19?,20?,21-/m1/s1 | PDB
Reactome pathway
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| 16 | 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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316951
(CHEMBL1087745 | N-(3-(2-(4-(2-oxo-1,2,3,4-tetrahyd...)Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CCC(CC2)Oc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C23H29N3O5S/c1-32(28,29)25-18-3-2-4-20(15-18)30-14-13-26-11-9-19(10-12-26)31-21-7-5-17-6-8-23(27)24-22(17)16-21/h2-5,7,15-16,19,25H,6,8-14H2,1H3,(H,24,27) | PDB
Reactome pathway
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| 18 | 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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50316953
(CHEMBL1087743 | N-(2-fluoro-5-(2-(4-((2-oxo-1,2,3,...)Show SMILES CS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4CCC(=O)Nc4c3)CC2)ccc1F Show InChI InChI=1S/C24H30FN3O4S/c1-33(30,31)27-23-16-20(5-6-21(23)25)32-13-12-28-10-8-17(9-11-28)14-18-2-3-19-4-7-24(29)26-22(19)15-18/h2-3,5-6,15-17,27H,4,7-14H2,1H3,(H,26,29) | PDB
Reactome pathway
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| 19 | 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 form human dopamine D2 receptor by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316954
(CHEMBL1088560 | N-(3-(2-(4-((2-oxo-1,2,3,4-tetrahy...)Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CCC(Cc3ccc4CCC(=O)Nc4c3)CC2)c1 Show InChI InChI=1S/C24H31N3O4S/c1-32(29,30)26-21-3-2-4-22(17-21)31-14-13-27-11-9-18(10-12-27)15-19-5-6-20-7-8-24(28)25-23(20)16-19/h2-6,16-18,26H,7-15H2,1H3,(H,25,28) | PDB
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| 19 | 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 form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316952
((R)-3-((4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-ylox...)Show SMILES O=C1Cc2c(N1)ccc1O[C@H](CN3CCC(CC3)Oc3ccc4CCC(=O)Nc4c3)COc21 |r| Show InChI InChI=1S/C25H27N3O5/c29-23-6-2-15-1-3-17(11-21(15)27-23)32-16-7-9-28(10-8-16)13-18-14-31-25-19-12-24(30)26-20(19)4-5-22(25)33-18/h1,3-5,11,16,18H,2,6-10,12-14H2,(H,26,30)(H,27,29)/t18-/m1/s1 | PDB
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| 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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316953
(CHEMBL1087743 | N-(2-fluoro-5-(2-(4-((2-oxo-1,2,3,...)Show SMILES CS(=O)(=O)Nc1cc(OCCN2CCC(Cc3ccc4CCC(=O)Nc4c3)CC2)ccc1F Show InChI InChI=1S/C24H30FN3O4S/c1-33(30,31)27-23-16-20(5-6-21(23)25)32-13-12-28-10-8-17(9-11-28)14-18-2-3-19-4-7-24(29)26-22(19)15-18/h2-3,5-6,15-17,27H,4,7-14H2,1H3,(H,26,29) | PDB
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| 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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316951
(CHEMBL1087745 | N-(3-(2-(4-(2-oxo-1,2,3,4-tetrahyd...)Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CCC(CC2)Oc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C23H29N3O5S/c1-32(28,29)25-18-3-2-4-20(15-18)30-14-13-26-11-9-19(10-12-26)31-21-7-5-17-6-8-23(27)24-22(17)16-21/h2-5,7,15-16,19,25H,6,8-14H2,1H3,(H,24,27) | PDB
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| 22 | 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 form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316950
(CHEMBL1087872 | N-(2-fluoro-5-(2-(4-(2-oxo-1,2,3,4...)Show SMILES CS(=O)(=O)Nc1cc(OCCN2CCC(CC2)Oc2ccc3CCC(=O)Nc3c2)ccc1F Show InChI InChI=1S/C23H28FN3O5S/c1-33(29,30)26-22-14-18(5-6-20(22)24)31-13-12-27-10-8-17(9-11-27)32-19-4-2-16-3-7-23(28)25-21(16)15-19/h2,4-6,14-15,17,26H,3,7-13H2,1H3,(H,25,28) | PDB
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| 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]citalopram form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316957
(7-(4-(3-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1 Show InChI InChI=1S/C23H26N4O4/c28-21-8-6-16-5-7-17(15-19(16)24-21)30-14-2-9-26-10-12-27(13-11-26)20-4-1-3-18-22(20)31-23(29)25-18/h1,3-5,7,15H,2,6,8-14H2,(H,24,28)(H,25,29) | PDB
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| 93 | 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 form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316956
(7-(4-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1 Show InChI InChI=1S/C24H28N4O4/c29-22-9-7-17-6-8-18(16-20(17)25-22)31-15-2-1-10-27-11-13-28(14-12-27)21-5-3-4-19-23(21)32-24(30)26-19/h3-6,8,16H,1-2,7,9-15H2,(H,25,29)(H,26,30) | PDB
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| 94 | 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 form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50316958
(7-(4-(2-(2-oxo-1,2,3,4-tetrahydroquinolin-7-yloxy)...)Show SMILES O=C1CCc2ccc(OCCN3CCN(CC3)c3cccc4[nH]c(=O)oc34)cc2N1 Show InChI InChI=1S/C22H24N4O4/c27-20-7-5-15-4-6-16(14-18(15)23-20)29-13-12-25-8-10-26(11-9-25)19-3-1-2-17-21(19)30-22(28)24-17/h1-4,6,14H,5,7-13H2,(H,23,27)(H,24,28) | PDB
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| 538 | 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 form human SRET by liquid scintillation counting |
Bioorg Med Chem Lett 20: 2983-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.105
BindingDB Entry DOI: 10.7270/Q2VH5P0Q |
More data for this
Ligand-Target Pair | |
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