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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50038698   
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))
BDBM50064708
PNG
((R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1Br |r|
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.920n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50131085
PNG
(3-Bromo-9-aminomethyl-9,10-dihydroanthracene | C-(...)
Show SMILES NCC1c2ccccc2Cc2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50274042
PNG
((S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine ...)
Show SMILES COc1cc(C[C@H](C)N)c(OC)cc1Br |r|
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50014997
PNG
(1-(4-hexyl-2,5-dimethoxyphenyl)propan-2-amine | 2-...)
Show SMILES CCCCCCc1cc(OC)c(CC(C)N)cc1OC
Show InChI InChI=1S/C17H29NO2/c1-5-6-7-8-9-14-11-17(20-4)15(10-13(2)18)12-16(14)19-3/h11-13H,5-10,18H2,1-4H3
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2.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50131083
PNG
(3-(3-Phenylpropyl)-9-aminomethyl-9,10-dihydroanthr...)
Show SMILES NCC1c2ccccc2Cc2cc(CCCc3ccccc3)ccc12
Show InChI InChI=1S/C24H25N/c25-17-24-22-12-5-4-11-20(22)16-21-15-19(13-14-23(21)24)10-6-9-18-7-2-1-3-8-18/h1-5,7-8,11-15,24H,6,9-10,16-17,25H2
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3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50131085
PNG
(3-Bromo-9-aminomethyl-9,10-dihydroanthracene | C-(...)
Show SMILES NCC1c2ccccc2Cc2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
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3.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50131090
PNG
(3-n-Hexyl-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C21H27N/c1-2-3-4-5-8-16-11-12-20-18(13-16)14-17-9-6-7-10-19(17)21(20)15-22/h6-7,9-13,21H,2-5,8,14-15,22H2,1H3
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7n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50131086
PNG
(3-methoxy-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES COc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C16H17NO/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17/h2-7,9,16H,8,10,17H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50014990
PNG
(1-(2,5-dimethoxy-4-(3-phenylpropyl)phenyl)propan-2...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1CCCc1ccccc1
Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-14-19(22-2)17(13-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50377960
PNG
(CHEMBL1744358)
Show SMILES CCCCCOc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C20H25NO/c1-2-3-6-11-22-17-9-10-19-16(13-17)12-15-7-4-5-8-18(15)20(19)14-21/h4-5,7-10,13,20H,2-3,6,11-12,14,21H2,1H3
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23n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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41n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50274083
PNG
(3-n-Hexyl-6-methoxy-9-aminomethyl-9,10-dihydroanth...)
Show SMILES CCCCCCc1ccc2C(CN)c3ccc(OC)cc3Cc2c1
Show InChI InChI=1S/C22H29NO/c1-3-4-5-6-7-16-8-10-20-17(12-16)13-18-14-19(24-2)9-11-21(18)22(20)15-23/h8-12,14,22H,3-7,13,15,23H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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43n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50091077
PNG
(2-(4-(3-phenylpropyl)phenyl)ethanamine | 2-[4-(3-P...)
Show SMILES NCCc1ccc(CCCc2ccccc2)cc1
Show InChI InChI=1S/C17H21N/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13-14,18H2
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50131090
PNG
(3-n-Hexyl-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C21H27N/c1-2-3-4-5-8-16-11-12-20-18(13-16)14-17-9-6-7-10-19(17)21(20)15-22/h6-7,9-13,21H,2-5,8,14-15,22H2,1H3
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62n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50274137
PNG
(2-(4-hexylphenyl)ethanamine | CHEMBL483388)
Show SMILES CCCCCCc1ccc(CCN)cc1
Show InChI InChI=1S/C14H23N/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-15/h7-10H,2-6,11-12,15H2,1H3
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78n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50274082
PNG
(3-Hydroxy-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES NCC1c2ccccc2Cc2cc(O)ccc12
Show InChI InChI=1S/C15H15NO/c16-9-15-13-4-2-1-3-10(13)7-11-8-12(17)5-6-14(11)15/h1-6,8,15,17H,7,9,16H2
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107n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50274139
PNG
(2-(4-hexylphenyl)-2-phenylethanamine | CHEMBL50107...)
Show SMILES CCCCCCc1ccc(cc1)C(CN)c1ccccc1
Show InChI InChI=1S/C20H27N/c1-2-3-4-6-9-17-12-14-19(15-13-17)20(16-21)18-10-7-5-8-11-18/h5,7-8,10-15,20H,2-4,6,9,16,21H2,1H3
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200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50274138
PNG
(2-(4-bromophenyl)-2-phenylethanamine | CHEMBL44476...)
Show SMILES NCC(c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C14H14BrN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
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260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50131090
PNG
(3-n-Hexyl-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C21H27N/c1-2-3-4-5-8-16-11-12-20-18(13-16)14-17-9-6-7-10-19(17)21(20)15-22/h6-7,9-13,21H,2-5,8,14-15,22H2,1H3
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490n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxitine from SERT


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50131090
PNG
(3-n-Hexyl-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C21H27N/c1-2-3-4-5-8-16-11-12-20-18(13-16)14-17-9-6-7-10-19(17)21(20)15-22/h6-7,9-13,21H,2-5,8,14-15,22H2,1H3
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845n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxitine from NET


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005253
PNG
((+/-)1-Methyl-2-(2,4,5-trimethoxy-phenyl)-ethylami...)
Show SMILES COc1cc(OC)c(OC)cc1CC(C)N
Show InChI InChI=1S/C12H19NO3/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-8H,5,13H2,1-4H3
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50131085
PNG
(3-Bromo-9-aminomethyl-9,10-dihydroanthracene | C-(...)
Show SMILES NCC1c2ccccc2Cc2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxitine from SERT


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50262755
PNG
(2-(4-bromophenyl)ethanamine | 2-(4-bromophenyl)eth...)
Show SMILES NCCc1ccc(Br)cc1
Show InChI InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
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1.77E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50131085
PNG
(3-Bromo-9-aminomethyl-9,10-dihydroanthracene | C-(...)
Show SMILES NCC1c2ccccc2Cc2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
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4.49E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxitine from NET


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM35929
PNG
(2,2-Diphenyl-ethylamine | 2,2-diphenylethanamine |...)
Show SMILES NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
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4.61E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005251
PNG
((+/-)2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(OC)c(CC(C)N)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
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5.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50131090
PNG
(3-n-Hexyl-9-aminomethyl-9,10-dihydroanthracene | C...)
Show SMILES CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
Show InChI InChI=1S/C21H27N/c1-2-3-4-5-8-16-11-12-20-18(13-16)14-17-9-6-7-10-19(17)21(20)15-22/h6-7,9-13,21H,2-5,8,14-15,22H2,1H3
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6.28E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxitine from SERT


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxitine from NET


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50131085
PNG
(3-Bromo-9-aminomethyl-9,10-dihydroanthracene | C-(...)
Show SMILES NCC1c2ccccc2Cc2cc(Br)ccc12
Show InChI InChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM35920
PNG
(9,10-dihydroanthracene(DHA), 1a | 9-(Aminomethyl)-...)
Show SMILES NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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1.68E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50015002
PNG
(4-(2-Amino-propyl)-2,5-dimethoxy-phenol | 4-(2-ami...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1O
Show InChI InChI=1S/C11H17NO3/c1-7(12)4-8-5-11(15-3)9(13)6-10(8)14-2/h5-7,13H,4,12H2,1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells


J Med Chem 51: 6808-28 (2008)


Article DOI: 10.1021/jm800771x
BindingDB Entry DOI: 10.7270/Q2KD1ZTR
More data for this
Ligand-Target Pair