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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'manzano' and Initial = 'ml'   
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 2B


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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22n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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85n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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89n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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124n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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189n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT2B receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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203n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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242n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
PDB
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246n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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254n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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257n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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268n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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655n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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1.04E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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2.12E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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2.61E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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2.71E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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2.72E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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2.73E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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2.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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2.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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3.26E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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3.82E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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5.40E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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5.44E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257398
PNG
(CHEMBL493130 | trans-[2-(4-Fluorophenyl)cyclopropy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C10H12FN/c11-9-3-1-7(2-4-9)10-5-8(10)6-12/h1-4,8,10H,5-6,12H2/t8-,10-/m1/s1
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6.78E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50257394
PNG
(CHEMBL445747 | trans-[2-(3-Methylphenyl)cyclopropy...)
Show SMILES Cc1cccc(c1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50257335
PNG
(CHEMBL492916 | trans-[2-(2-Bromophenyl)cyclopropyl...)
Show SMILES NCC1CC1c1ccccc1Br
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50256779
PNG
(CHEMBL451232 | trans-[2-(2-Chloro-4-fluorophenyl)c...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C10H11ClFN/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13/h1-2,4,6,9H,3,5,13H2/t6-,9+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT (unknown origin)


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257235
PNG
((+)-trans-(S,S)-(2-Phenylcyclopropyl)methylamineHy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257235
PNG
((+)-trans-(S,S)-(2-Phenylcyclopropyl)methylamineHy...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257277
PNG
((-)-trans-(R,R)-(2-Phenylcyclopropyl)methylamineHy...)
Show SMILES NC[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10-/m0/s1
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n/an/an/an/a 909n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257279
PNG
((+/-)-Cis-(2-Phenylcyclopropyl)methylamineHydrochl...)
Show SMILES NC[C@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C10H13N/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2/t9-,10+/m1/s1
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n/an/an/an/a 3.02E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257280
PNG
(CHEMBL492700 | trans-N-Methyl-(2-phenylcyclopropyl...)
Show SMILES CNC[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N/c1-12-8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11-/m1/s1
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n/an/an/an/a 634n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257281
PNG
(CHEMBL492696 | trans-N-Isopropyl-(2-phenylcyclopro...)
Show SMILES CC(C)NC[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C13H19N/c1-10(2)14-9-12-8-13(12)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t12-,13-/m1/s1
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n/an/an/an/a 3.42E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257282
PNG
(CHEMBL492698 | trans-N-Benzyl-(2-phenylcyclopropyl...)
Show SMILES C(NCc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C17H19N/c1-3-7-14(8-4-1)12-18-13-16-11-17(16)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17-/m1/s1
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n/an/an/an/a 5.70E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50257283
PNG
(CHEMBL474885 | trans-(2-Naphthalen-2-ylcyclopropyl...)
Show SMILES NC[C@H]1C[C@@H]1c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C14H15N/c15-9-13-8-14(13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14H,8-9,15H2/t13-,14-/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50256963
PNG
(CHEMBL450178 | trans-[2-(3-Ethynylphenyl)cycloprop...)
Show SMILES NC[C@H]1C[C@@H]1c1cccc(c1)C#C |r|
Show InChI InChI=1S/C12H13N/c1-2-9-4-3-5-10(6-9)12-7-11(12)8-13/h1,3-6,11-12H,7-8,13H2/t11-,12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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n/an/an/an/a 616n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257333
PNG
((+)-(S,S)-trans-[2-(2-Bromophenyl)cyclopropyl]meth...)
Show SMILES NC[C@H]1C[C@@H]1c1ccccc1Br |r|
Show InChI InChI=1S/C10H12BrN/c11-10-4-2-1-3-8(10)9-5-7(9)6-12/h1-4,7,9H,5-6,12H2/t7-,9+/m1/s1
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n/an/an/an/a 67n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257458
PNG
(CHEMBL471202 | trans-[2-(4-Methylphenyl)cyclopropy...)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H15N/c1-8-2-4-9(5-3-8)11-6-10(11)7-12/h2-5,10-11H,6-7,12H2,1H3/t10-,11-/m1/s1
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n/an/an/an/a 1.93E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50256782
PNG
(CHEMBL474633 | trans-[2-(4-Fluoro-3-methylphenyl)c...)
Show SMILES Cc1cc(ccc1F)[C@H]1C[C@@H]1CN |r|
Show InChI InChI=1S/C11H14FN/c1-7-4-8(2-3-11(7)12)10-5-9(10)6-13/h2-4,9-10H,5-6,13H2,1H3/t9-,10-/m1/s1
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n/an/an/an/a 235n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
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