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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50013578   
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 5A


(Homo sapiens (Human))
BDBM50130265
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23FN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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55n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132087
PNG
(5-Methyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1...)
Show SMILES Cn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-22-20-11-6-5-10-18(20)19-16-23(14-12-21(19)22)13-7-15-24-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132096
PNG
(5-Ethyl-2-(3-phenoxy-propyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCn1c2CCN(CCCOc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H26N2O/c1-2-24-21-12-7-6-11-19(21)20-17-23(15-13-22(20)24)14-8-16-25-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3
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100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132090
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-8-methoxy-5-methyl...)
Show SMILES COc1ccc2n(C)c3CCN(CCCOc4ccc(F)cc4)Cc3c2c1
Show InChI InChI=1S/C22H25FN2O2/c1-24-21-9-8-18(26-2)14-19(21)20-15-25(12-10-22(20)24)11-3-13-27-17-6-4-16(23)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3
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165n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132108
PNG
(4-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-...)
Show SMILES Cn1c2CCN(CCCC(=O)c3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-23-20-11-6-5-10-18(20)19-16-24(15-13-21(19)23)14-7-12-22(25)17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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168n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132114
PNG
(5-Methyl-2-(5-phenyl-pentyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES Cn1c2CCN(CCCCCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H28N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1H3
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174n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132089
PNG
(5-Methyl-2-(5-phenyl-pent-2-enyl)-2,3,4,5-tetrahyd...)
Show SMILES Cn1c2CCN(C\C=C\CCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H26N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2-5,7-11,13-14H,6,12,15-18H2,1H3/b9-3+
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185n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132105
PNG
(4-[3-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]ind...)
Show SMILES Cn1c2CCN(CCCOc3ccc(N)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H25N3O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15,22H2,1H3
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190n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132109
PNG
(2-[3-(3,4-Dichloro-phenoxy)-propyl]-5-methyl-2,3,4...)
Show SMILES Cn1c2CCN(CCCOc3ccc(Cl)c(Cl)c3)Cc2c2ccccc12
Show InChI InChI=1S/C21H22Cl2N2O/c1-24-20-6-3-2-5-16(20)17-14-25(11-9-21(17)24)10-4-12-26-15-7-8-18(22)19(23)13-15/h2-3,5-8,13H,4,9-12,14H2,1H3
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200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132126
PNG
(2-[3-(4-Chloro-phenoxy)-propyl]-5-methyl-2,3,4,5-t...)
Show SMILES Cn1c2CCN(CCCOc3ccc(Cl)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C21H23ClN2O/c1-23-20-6-3-2-5-18(20)19-15-24(13-11-21(19)23)12-4-14-25-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3
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200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50409726
PNG
(CHEMBL2111848)
Show SMILES Cn1c2CCN(C\C=C/CCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H26N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2-5,7-11,13-14H,6,12,15-18H2,1H3/b9-3-
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208n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132102
PNG
(6-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cccc(Cl)c12
Show InChI InChI=1S/C21H22ClFN2O/c1-24-20-10-12-25(11-3-13-26-16-8-6-15(23)7-9-16)14-18(20)17-4-2-5-19(22)21(17)24/h2,4-9H,3,10-14H2,1H3
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225n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132098
PNG
(5-Methyl-2-[3-(4-nitro-phenoxy)-propyl]-2,3,4,5-te...)
Show SMILES Cn1c2CCN(CCCOc3ccc(cc3)[N+]([O-])=O)Cc2c2ccccc12
Show InChI InChI=1S/C21H23N3O3/c1-22-20-6-3-2-5-18(20)19-15-23(13-11-21(19)22)12-4-14-27-17-9-7-16(8-10-17)24(25)26/h2-3,5-10H,4,11-15H2,1H3
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250n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132121
PNG
(8-Chloro-2-[3-(4-fluoro-phenoxy)-propyl]-5-methyl-...)
Show SMILES Cn1c2CCN(CCCOc3ccc(F)cc3)Cc2c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClFN2O/c1-24-20-8-3-15(22)13-18(20)19-14-25(11-9-21(19)24)10-2-12-26-17-6-4-16(23)5-7-17/h3-8,13H,2,9-12,14H2,1H3
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270n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132094
PNG
(1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro...)
Show SMILES Cn1c2CCN(CCCC(O)c3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H25FN2O/c1-24-20-6-3-2-5-18(20)19-15-25(14-12-21(19)24)13-4-7-22(26)16-8-10-17(23)11-9-16/h2-3,5-6,8-11,22,26H,4,7,12-15H2,1H3
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285n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132099
PNG
(1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro...)
Show SMILES Cn1c2CCN(CCCC(N=O)c3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C22H24FN3O/c1-25-21-7-3-2-5-18(21)19-15-26(14-12-22(19)25)13-4-6-20(24-27)16-8-10-17(23)11-9-16/h2-3,5,7-11,20H,4,6,12-15H2,1H3
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340n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132118
PNG
(2-[3-(4-Methoxy-phenoxy)-propyl]-5-methyl-2,3,4,5-...)
Show SMILES COc1ccc(OCCCN2CCc3c(C2)c2ccccc2n3C)cc1
Show InChI InChI=1S/C22H26N2O2/c1-23-21-7-4-3-6-19(21)20-16-24(14-12-22(20)23)13-5-15-26-18-10-8-17(25-2)9-11-18/h3-4,6-11H,5,12-16H2,1-2H3
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350n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132107
PNG
(9-Methyl-2-(3-phenoxy-propyl)-2,3,4,9-tetrahydro-1...)
Show SMILES Cn1c2CN(CCCOc3ccccc3)CCc2c2ccccc12
Show InChI InChI=1S/C21H24N2O/c1-22-20-11-6-5-10-18(20)19-12-14-23(16-21(19)22)13-7-15-24-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3
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620n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132100
PNG
(2-[2-(4-Fluoro-phenoxy)-ethyl]-5-methyl-2,3,4,5-te...)
Show SMILES Cn1c2CCN(CCOc3ccc(F)cc3)Cc2c2ccccc12
Show InChI InChI=1S/C20H21FN2O/c1-22-19-5-3-2-4-17(19)18-14-23(11-10-20(18)22)12-13-24-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3
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930n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132128
PNG
(3-(5-Methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-...)
Show SMILES Cn1c2CCN(CCCO)Cc2c2ccccc12
Show InChI InChI=1S/C15H20N2O/c1-16-14-6-3-2-5-12(14)13-11-17(8-4-10-18)9-7-15(13)16/h2-3,5-6,18H,4,7-11H2,1H3
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1.12E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132084
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-6-methoxy-5-methyl...)
Show SMILES COc1cccc2c3CN(CCCOc4ccc(F)cc4)CCc3n(C)c12
Show InChI InChI=1S/C22H25FN2O2/c1-24-20-11-13-25(12-4-14-27-17-9-7-16(23)8-10-17)15-19(20)18-5-3-6-21(26-2)22(18)24/h3,5-10H,4,11-15H2,1-2H3
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Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50132120
PNG
(5-Methyl-2-(5-phenyl-pent-2-ynyl)-2,3,4,5-tetrahyd...)
Show SMILES Cn1c2CCN(CC#CCCc3ccccc3)Cc2c2ccccc12
Show InChI InChI=1S/C23H24N2/c1-24-22-14-8-7-13-20(22)21-18-25(17-15-23(21)24)16-9-3-6-12-19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14H,6,12,15-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.78E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand


J Med Chem 46: 3930-7 (2003)


Article DOI: 10.1021/jm030080s
BindingDB Entry DOI: 10.7270/Q2V1245C
More data for this
Ligand-Target Pair