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Compile Data Set for Download or QSAR

Found 373 hits Enz. Inhib. hit(s) with all data for entry = 50033856   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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0.810n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313283
PNG
(1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1=CCN(CCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17-8-11-27(12-9-17)13-14-28-23-5-1-3-18-4-2-10-29(24(18)23)32(28,30)31/h1,3,5-8,15-16,26H,2,4,9-14H2
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2.30n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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21n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50313284
PNG
((S)-2-((7-fluoro-2,3-dihydro-1H-inden-4-yloxy)meth...)
Show SMILES Fc1ccc(OC[C@@H]2CNCCO2)c2CCCc12
Show InChI InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1
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86n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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98n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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290n/an/an/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Binding affinity to SERT


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352719
PNG
(CHEMBL1823215 | US8835436, Example 152)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352682
PNG
(CHEMBL1823096)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C28H34ClN5O3/c1-19-23(29)6-4-7-24(19)33-14-12-32(13-15-33)11-5-10-30-28(35)27-20(2)34(21(3)31-27)22-8-9-25-26(18-22)37-17-16-36-25/h4,6-9,18H,5,10-17H2,1-3H3,(H,30,35)
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n/an/a 2.70n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352708
PNG
(CHEMBL1823205)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C27H34ClN5O2/c1-18-7-5-10-25(19(18)2)32-13-11-31(12-14-32)17-24(34)16-29-27(35)26-20(3)33(21(4)30-26)23-9-6-8-22(28)15-23/h5-10,15,24,34H,11-14,16-17H2,1-4H3,(H,29,35)
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n/an/a 2.90n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM9274
PNG
(CHEMBL1822893 | US8835436, Example 8)
Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)
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n/an/a 3.90n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor by competition binding assay


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352730
PNG
(CHEMBL1823057)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C28H36ClN5O/c1-4-10-26-31-27(22(3)34(26)23-11-6-5-7-12-23)28(35)30-15-9-16-32-17-19-33(20-18-32)25-14-8-13-24(29)21(25)2/h5-8,11-14H,4,9-10,15-20H2,1-3H3,(H,30,35)
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n/an/a 3.90n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352677
PNG
(CHEMBL1823091)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C27H34ClN5O/c1-19-8-5-11-25(20(19)2)32-16-14-31(15-17-32)13-7-12-29-27(34)26-21(3)33(22(4)30-26)24-10-6-9-23(28)18-24/h5-6,8-11,18H,7,12-17H2,1-4H3,(H,29,34)
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n/an/a 4.88n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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n/an/a 4.90n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor by competition binding assay


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352731
PNG
(CHEMBL1823058)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C29H39N5O/c1-5-11-27-31-28(24(4)34(27)25-13-7-6-8-14-25)29(35)30-16-10-17-32-18-20-33(21-19-32)26-15-9-12-22(2)23(26)3/h6-9,12-15H,5,10-11,16-21H2,1-4H3,(H,30,35)
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n/an/a 5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352685
PNG
(CHEMBL1823099)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H41N5O3/c1-5-8-29-33-30(24(4)36(29)25-11-12-27-28(21-25)39-20-19-38-27)31(37)32-13-7-14-34-15-17-35(18-16-34)26-10-6-9-22(2)23(26)3/h6,9-12,21H,5,7-8,13-20H2,1-4H3,(H,32,37)
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n/an/a 5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352705
PNG
(CHEMBL1823203)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl
Show InChI InChI=1S/C27H34ClN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)
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n/an/a 5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352687
PNG
(CHEMBL1823101)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)
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n/an/a 5n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352718
PNG
(CHEMBL1823214 | US8835436, Example 139)
Show SMILES Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m0/s1
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n/an/a 5.08n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352749
PNG
(CHEMBL1822905 | US8835436, Example 143)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C28H35Cl2N5O2/c1-4-7-25-32-27(20(2)35(25)21-10-12-22(37-3)13-11-21)28(36)31-14-6-15-33-16-18-34(19-17-33)24-9-5-8-23(29)26(24)30/h5,8-13H,4,6-7,14-19H2,1-3H3,(H,31,36)
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n/an/a 5.17n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352729
PNG
(CHEMBL1823056)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H35N5O/c1-20-10-8-13-25(21(20)2)31-18-16-30(17-19-31)15-9-14-28-27(33)26-22(3)32(23(4)29-26)24-11-6-5-7-12-24/h5-8,10-13H,9,14-19H2,1-4H3,(H,28,33)
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n/an/a 6n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352701
PNG
(CHEMBL1823189 | US8835436, Example 137)
Show SMILES CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H41N5O3/c1-6-8-28-32-29(23(4)35(28)24-11-13-26(38-5)14-12-24)30(37)31-19-25(36)20-33-15-17-34(18-16-33)27-10-7-9-21(2)22(27)3/h7,9-14,25,36H,6,8,15-20H2,1-5H3,(H,31,37)
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n/an/a 6n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352683
PNG
(CHEMBL1823097)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C29H37N5O3/c1-20-7-5-8-25(21(20)2)33-15-13-32(14-16-33)12-6-11-30-29(35)28-22(3)34(23(4)31-28)24-9-10-26-27(19-24)37-18-17-36-26/h5,7-10,19H,6,11-18H2,1-4H3,(H,30,35)
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n/an/a 6.08n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352665
PNG
(CHEMBL1823079 | US8835436, Example 153)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C26H31ClFN5O/c1-18-21(27)8-6-11-23(18)32-16-14-31(15-17-32)13-7-12-29-26(34)25-19(2)33(20(3)30-25)24-10-5-4-9-22(24)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)
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n/an/a 6.17n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352688
PNG
(CHEMBL1823102)
Show SMILES CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C28H36ClN5O2/c1-4-9-26-31-27(21(3)34(26)22-10-6-5-7-11-22)28(36)30-18-23(35)19-32-14-16-33(17-15-32)25-13-8-12-24(29)20(25)2/h5-8,10-13,23,35H,4,9,14-19H2,1-3H3,(H,30,36)
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n/an/a 6.20n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352656
PNG
(CHEMBL1823199)
Show SMILES CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H38FN5O2/c1-5-7-27-32-28(22(4)35(27)24-12-10-23(30)11-13-24)29(37)31-18-25(36)19-33-14-16-34(17-15-33)26-9-6-8-20(2)21(26)3/h6,8-13,25,36H,5,7,14-19H2,1-4H3,(H,31,37)
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n/an/a 6.30n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352670
PNG
(CHEMBL1823084)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C29H38FN5O/c1-5-8-27-32-28(23(4)35(27)25-13-11-24(30)12-14-25)29(36)31-15-7-16-33-17-19-34(20-18-33)26-10-6-9-21(2)22(26)3/h6,9-14H,5,7-8,15-20H2,1-4H3,(H,31,36)
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n/an/a 6.60n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM9274
PNG
(CHEMBL1822893 | US8835436, Example 8)
Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C24H27Cl2N5O/c1-17-23(28-18(2)31(17)19-7-4-3-5-8-19)24(32)27-11-12-29-13-15-30(16-14-29)21-10-6-9-20(25)22(21)26/h3-10H,11-16H2,1-2H3,(H,27,32)
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n/an/a 6.80n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by competition binding assay


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352666
PNG
(CHEMBL1823080)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C27H34FN5O/c1-19-9-7-12-24(20(19)2)32-17-15-31(16-18-32)14-8-13-29-27(34)26-21(3)33(22(4)30-26)25-11-6-5-10-23(25)28/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)
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n/an/a 6.90n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352676
PNG
(CHEMBL1823090)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl
Show InChI InChI=1S/C29H38ClN5O/c1-5-10-27-32-28(23(4)35(27)26-13-7-6-12-24(26)30)29(36)31-15-9-16-33-17-19-34(20-18-33)25-14-8-11-21(2)22(25)3/h6-8,11-14H,5,9-10,15-20H2,1-4H3,(H,31,36)
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n/an/a 7.30n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352652
PNG
(CHEMBL1823195)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)
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n/an/a 7.59n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352727
PNG
(CHEMBL1822913 | US8835436, Example 150)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)
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n/an/a 8.63n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352756
PNG
(CHEMBL1823069 | US8835436, Example 99)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C28H37N5O2/c1-20-10-8-12-24(21(20)2)32-18-16-31(17-19-32)15-9-14-29-28(34)27-22(3)33(23(4)30-27)25-11-6-7-13-26(25)35-5/h6-8,10-13H,9,14-19H2,1-5H3,(H,29,34)
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n/an/a 9n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352713
PNG
(CHEMBL1823210)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C28H34ClN5O4/c1-18-23(29)5-4-6-24(18)33-11-9-32(10-12-33)17-22(35)16-30-28(36)27-19(2)34(20(3)31-27)21-7-8-25-26(15-21)38-14-13-37-25/h4-8,15,22,35H,9-14,16-17H2,1-3H3,(H,30,36)
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n/an/a 9.10n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352727
PNG
(CHEMBL1822913 | US8835436, Example 150)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)
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n/an/a 9.17n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352716
PNG
(CHEMBL1823212)
Show SMILES CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H41N5O4/c1-5-7-29-33-30(23(4)36(29)24-10-11-27-28(18-24)40-17-16-39-27)31(38)32-19-25(37)20-34-12-14-35(15-13-34)26-9-6-8-21(2)22(26)3/h6,8-11,18,25,37H,5,7,12-17,19-20H2,1-4H3,(H,32,38)
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n/an/a 9.30n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352736
PNG
(CHEMBL1823063)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1C1CCCC1
Show InChI InChI=1S/C25H36ClN5O/c1-18-22(26)10-6-11-23(18)30-16-14-29(15-17-30)13-7-12-27-25(32)24-19(2)31(20(3)28-24)21-8-4-5-9-21/h6,10-11,21H,4-5,7-9,12-17H2,1-3H3,(H,27,32)
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n/an/a 9.53n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352712
PNG
(CHEMBL1823209 | US8835436, Example 149)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)
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n/an/a 9.86n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352681
PNG
(CHEMBL1823095 | US8835436, Example 105)
Show SMILES COc1cc(OC)cc(c1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C29H39N5O3/c1-20-9-7-10-27(21(20)2)33-15-13-32(14-16-33)12-8-11-30-29(35)28-22(3)34(23(4)31-28)24-17-25(36-5)19-26(18-24)37-6/h7,9-10,17-19H,8,11-16H2,1-6H3,(H,30,35)
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n/an/a 10n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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n/an/a 10.2n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352660
PNG
(CHEMBL1823074 | US8835436, Example 135)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H38ClN5O2/c1-5-8-27-32-28(22(3)35(27)23-11-13-24(37-4)14-12-23)29(36)31-15-7-16-33-17-19-34(20-18-33)26-10-6-9-25(30)21(26)2/h6,9-14H,5,7-8,15-20H2,1-4H3,(H,31,36)
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n/an/a 10.2n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352720
PNG
(CHEMBL1823216 | US8835436, Example 140)
Show SMILES Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m0/s1
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n/an/a 10.3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352746
PNG
(CHEMBL1822902 | US8835436, Example 145)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)
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n/an/a 10.3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352692
PNG
(CHEMBL1823106 | US8835436, Example 96)
Show SMILES CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C24H37N5O2/c1-6-10-29-19(4)23(26-20(29)5)24(31)25-15-21(30)16-27-11-13-28(14-12-27)22-9-7-8-17(2)18(22)3/h7-9,21,30H,6,10-16H2,1-5H3,(H,25,31)
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n/an/a 10.4n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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n/an/a 11n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by competition binding assay


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352712
PNG
(CHEMBL1823209 | US8835436, Example 149)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)
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n/an/a 12n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352663
PNG
(CHEMBL1823077)
Show SMILES COc1ccc(cc1)-n1c(C)c(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C33H39N5O2/c1-24-10-8-13-30(25(24)2)37-22-20-36(21-23-37)19-9-18-34-33(39)31-26(3)38(28-14-16-29(40-4)17-15-28)32(35-31)27-11-6-5-7-12-27/h5-8,10-17H,9,18-23H2,1-4H3,(H,34,39)
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n/an/a 12n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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n/an/a 12.1n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
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