Found 19 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50101075
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]CFT from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50101075
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
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PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50101075
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1 | Reactome pathway
KEGG
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PC sid
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human NET expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50101075
((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10?,11-,14?,15+/m1/s1 | PDB
KEGG
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human SERT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]CFT from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177766
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-56(7-2)34-15-19-37-44(29-34)66-45-30-35(57(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-65-50(59)49-40(28-33-17-23-43(49)55(33)5)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,33,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t33?,40-,43?,49+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]CFT from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177769
(CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]CFT from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177766
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-56(7-2)34-15-19-37-44(29-34)66-45-30-35(57(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-65-50(59)49-40(28-33-17-23-43(49)55(33)5)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,33,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t33?,40-,43?,49+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50177766
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-56(7-2)34-15-19-37-44(29-34)66-45-30-35(57(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-65-50(59)49-40(28-33-17-23-43(49)55(33)5)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,33,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t33?,40-,43?,49+/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human NET expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human NET expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50177769
(CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 227 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human SERT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177769
(CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50177769
(CHEMBL198842 | [1-(3-{2-[3-(3,4-Dichloro-phenyl)-2...)Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCNC(=O)CCC[N+]1=c2cc3c(=Cc4ccc(cc4C3(C)C)N(C)C)cc2CCC1 |c:31,35,TLB:20:19:6.7:4.10.9,THB:2:4:19:6.7| Show InChI InChI=1S/C42H50Cl2N4O3/c1-42(2)33-24-30(46(3)4)12-10-27(33)20-29-21-28-8-6-17-47(38(28)25-34(29)42)18-7-9-39(49)45-16-19-48-31-13-15-37(48)40(41(50)51-5)32(23-31)26-11-14-35(43)36(44)22-26/h10-12,14,20-22,24-25,31-32,37,40H,6-9,13,15-19,23H2,1-5H3/p+1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 308 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human NET expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50177767
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-55(7-2)33-15-19-37-44(29-33)66-45-30-34(56(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-57-35-17-23-43(57)49(50(59)65-5)40(28-35)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,35,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t35?,40-,43?,49+/m1/s1 | PDB
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PC cid
PC sid
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| Article
PubMed
| 392 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human SERT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50177768
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)C(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:28.32,41.56,42.47,wD:25.25,TLB:52:41:36:39.38,35:36:39.38:41.42.43,(9.23,-9.98,;7.89,-9.2,;7.9,-7.65,;9.25,-6.88,;10.59,-7.67,;6.57,-6.86,;6.58,-5.31,;5.23,-4.52,;3.89,-5.29,;2.56,-4.52,;2.56,-2.98,;3.9,-2.2,;3.9,-.66,;2.57,.11,;1.22,-.66,;1.22,-2.2,;-.11,-2.97,;-1.45,-3.74,;.65,-4.3,;-.89,-1.64,;2.57,1.65,;1.03,1.66,;4.11,1.66,;2.58,3.19,;3.92,3.95,;5.24,3.17,;5.23,1.63,;6.56,.86,;7.88,1.61,;7.92,3.15,;6.58,3.94,;9.21,.83,;9.19,-.71,;10.56,1.59,;11.87,.8,;11.86,-.74,;13.18,-1.53,;13.24,-4.06,;12.25,-4.78,;12.54,-3.33,;13.84,-2.62,;15.25,-3.22,;15.63,-4.69,;14.61,-3.98,;17.01,-5.07,;18.02,-4.06,;19.4,-4.44,;19.76,-5.84,;21.14,-6.21,;18.75,-6.84,;19.1,-8.23,;17.36,-6.46,;16.57,-2.44,;16.55,-.9,;17.91,-3.2,;19.24,-2.41,;1.21,-5.29,;-.12,-4.51,;-1.46,-5.27,;-1.47,-6.82,;-.13,-7.6,;1.2,-6.83,;2.54,-7.61,;3.88,-6.85,;5.21,-7.62,;-2.82,-7.57,;-4.15,-6.79,;-5.5,-7.56,;-2.83,-9.12,;-4.18,-9.89,)| Show InChI InChI=1S/C52H63Cl2N5O9S2/c1-6-57(7-2)35-15-19-39-46(28-35)68-47-29-36(58(8-3)9-4)16-20-40(47)49(39)41-21-18-38(30-48(41)70(64,65)66)69(62,63)56-31-32-10-12-33(13-11-32)51(60)55-24-25-59-37-17-23-45(59)50(52(61)67-5)42(27-37)34-14-22-43(53)44(54)26-34/h14-16,18-22,26,28-30,32-33,37,42,45,50,56H,6-13,17,23-25,27,31H2,1-5H3,(H-,55,60,64,65,66)/t32-,33-,37?,42-,45?,50+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50177768
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)C(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:28.32,41.56,42.47,wD:25.25,TLB:52:41:36:39.38,35:36:39.38:41.42.43,(9.23,-9.98,;7.89,-9.2,;7.9,-7.65,;9.25,-6.88,;10.59,-7.67,;6.57,-6.86,;6.58,-5.31,;5.23,-4.52,;3.89,-5.29,;2.56,-4.52,;2.56,-2.98,;3.9,-2.2,;3.9,-.66,;2.57,.11,;1.22,-.66,;1.22,-2.2,;-.11,-2.97,;-1.45,-3.74,;.65,-4.3,;-.89,-1.64,;2.57,1.65,;1.03,1.66,;4.11,1.66,;2.58,3.19,;3.92,3.95,;5.24,3.17,;5.23,1.63,;6.56,.86,;7.88,1.61,;7.92,3.15,;6.58,3.94,;9.21,.83,;9.19,-.71,;10.56,1.59,;11.87,.8,;11.86,-.74,;13.18,-1.53,;13.24,-4.06,;12.25,-4.78,;12.54,-3.33,;13.84,-2.62,;15.25,-3.22,;15.63,-4.69,;14.61,-3.98,;17.01,-5.07,;18.02,-4.06,;19.4,-4.44,;19.76,-5.84,;21.14,-6.21,;18.75,-6.84,;19.1,-8.23,;17.36,-6.46,;16.57,-2.44,;16.55,-.9,;17.91,-3.2,;19.24,-2.41,;1.21,-5.29,;-.12,-4.51,;-1.46,-5.27,;-1.47,-6.82,;-.13,-7.6,;1.2,-6.83,;2.54,-7.61,;3.88,-6.85,;5.21,-7.62,;-2.82,-7.57,;-4.15,-6.79,;-5.5,-7.56,;-2.83,-9.12,;-4.18,-9.89,)| Show InChI InChI=1S/C52H63Cl2N5O9S2/c1-6-57(7-2)35-15-19-39-46(28-35)68-47-29-36(58(8-3)9-4)16-20-40(47)49(39)41-21-18-38(30-48(41)70(64,65)66)69(62,63)56-31-32-10-12-33(13-11-32)51(60)55-24-25-59-37-17-23-45(59)50(52(61)67-5)42(27-37)34-14-22-43(53)44(54)26-34/h14-16,18-22,26,28-30,32-33,37,42,45,50,56H,6-13,17,23-25,27,31H2,1-5H3,(H-,55,60,64,65,66)/t32-,33-,37?,42-,45?,50+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 627 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human NET expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50177768
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC[C@H]3CC[C@@H](CC3)C(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:28.32,41.56,42.47,wD:25.25,TLB:52:41:36:39.38,35:36:39.38:41.42.43,(9.23,-9.98,;7.89,-9.2,;7.9,-7.65,;9.25,-6.88,;10.59,-7.67,;6.57,-6.86,;6.58,-5.31,;5.23,-4.52,;3.89,-5.29,;2.56,-4.52,;2.56,-2.98,;3.9,-2.2,;3.9,-.66,;2.57,.11,;1.22,-.66,;1.22,-2.2,;-.11,-2.97,;-1.45,-3.74,;.65,-4.3,;-.89,-1.64,;2.57,1.65,;1.03,1.66,;4.11,1.66,;2.58,3.19,;3.92,3.95,;5.24,3.17,;5.23,1.63,;6.56,.86,;7.88,1.61,;7.92,3.15,;6.58,3.94,;9.21,.83,;9.19,-.71,;10.56,1.59,;11.87,.8,;11.86,-.74,;13.18,-1.53,;13.24,-4.06,;12.25,-4.78,;12.54,-3.33,;13.84,-2.62,;15.25,-3.22,;15.63,-4.69,;14.61,-3.98,;17.01,-5.07,;18.02,-4.06,;19.4,-4.44,;19.76,-5.84,;21.14,-6.21,;18.75,-6.84,;19.1,-8.23,;17.36,-6.46,;16.57,-2.44,;16.55,-.9,;17.91,-3.2,;19.24,-2.41,;1.21,-5.29,;-.12,-4.51,;-1.46,-5.27,;-1.47,-6.82,;-.13,-7.6,;1.2,-6.83,;2.54,-7.61,;3.88,-6.85,;5.21,-7.62,;-2.82,-7.57,;-4.15,-6.79,;-5.5,-7.56,;-2.83,-9.12,;-4.18,-9.89,)| Show InChI InChI=1S/C52H63Cl2N5O9S2/c1-6-57(7-2)35-15-19-39-46(28-35)68-47-29-36(58(8-3)9-4)16-20-40(47)49(39)41-21-18-38(30-48(41)70(64,65)66)69(62,63)56-31-32-10-12-33(13-11-32)51(60)55-24-25-59-37-17-23-45(59)50(52(61)67-5)42(27-37)34-14-22-43(53)44(54)26-34/h14-16,18-22,26,28-30,32-33,37,42,45,50,56H,6-13,17,23-25,27,31H2,1-5H3,(H-,55,60,64,65,66)/t32-,33-,37?,42-,45?,50+/m1/s1 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 705 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human SERT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50177766
(2-(3-sec-Butylimino-6-diethylamino-3H-xanthen-9-yl...)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOC(=O)[C@@H]3C4CCC(C[C@@H]3c3ccc(Cl)c(Cl)c3)N4C)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:37.37,43.45,TLB:44:43:39.40:52,THB:35:37:39.40:52,(14.91,-13.52,;16.26,-12.74,;16.26,-11.19,;14.91,-10.41,;13.57,-11.19,;17.6,-10.42,;17.61,-8.86,;18.96,-8.08,;20.29,-8.87,;21.63,-8.11,;21.64,-6.57,;20.31,-5.78,;20.32,-4.23,;21.66,-3.48,;23,-4.26,;22.99,-5.8,;24.32,-6.58,;25.65,-7.36,;23.55,-7.91,;25.11,-5.26,;21.67,-1.93,;23.22,-1.94,;20.13,-1.92,;21.68,-.39,;20.34,.38,;19.01,-.39,;17.68,.37,;17.67,1.91,;16.34,2.68,;15,1.9,;15.01,.37,;13.67,2.67,;12.34,1.9,;11,2.66,;9.67,1.89,;8.33,2.65,;8.33,4.19,;7,1.88,;5.6,2.5,;4.29,1.8,;4,.35,;4.98,1.06,;6.36,1.13,;7.37,.41,;8.11,-.82,;9.54,-.79,;10.28,-2.01,;9.58,-3.28,;10.32,-4.5,;8.15,-3.3,;7.45,-4.55,;7.41,-2.07,;4.95,3.6,;4.57,4.98,;22.97,-8.88,;24.31,-8.12,;25.65,-8.89,;25.64,-10.44,;24.3,-11.21,;22.97,-10.43,;21.62,-11.2,;20.29,-10.42,;18.95,-11.19,;26.99,-11.21,;28.33,-10.44,;29.67,-11.21,;26.98,-12.76,;28.33,-13.54,)| Show InChI InChI=1S/C50H61Cl2N5O9S2/c1-6-56(7-2)34-15-19-37-44(29-34)66-45-30-35(57(8-3)9-4)16-20-38(45)48(37)39-21-18-36(31-46(39)68(62,63)64)67(60,61)54-24-12-10-11-13-47(58)53-25-26-65-50(59)49-40(28-33-17-23-43(49)55(33)5)32-14-22-41(51)42(52)27-32/h14-16,18-22,27,29-31,33,40,43,49,54H,6-13,17,23-26,28H2,1-5H3,(H-,53,58,62,63,64)/t33?,40-,43?,49+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human SERT expressed in COS7 cells |
J Med Chem 48: 7513-6 (2005)
Article DOI: 10.1021/jm050431y
BindingDB Entry DOI: 10.7270/Q27M07HM |
More data for this
Ligand-Target Pair | |
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