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Compile Data Set for Download or QSAR

Found 585 hits with Last Name = 'gaisin' and Initial = 'a'   
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 7


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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2.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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2.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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8n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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22n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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29n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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32n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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69n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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94n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB
MMDB

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113n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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164n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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177n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB
MMDB

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225n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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229n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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249n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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530n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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609n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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660n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
PDB

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666n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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760n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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961n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
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964n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2C receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2B receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50076244
PNG
(CHEMBL3416067)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCCF |r|
Show InChI InChI=1S/C12H15F2NO.ClH/c13-3-4-16-12-2-1-9(14)6-11(12)10-5-8(10)7-15;/h1-2,6,8,10H,3-5,7,15H2;1H/t8-,10+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2A receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2A receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50076240
PNG
(CHEMBL3416063)
Show SMILES Cl.NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r|
Show InChI InChI=1S/C13H16FNO.ClH/c1-2-5-16-13-4-3-10(14)7-12(13)11-6-9(11)8-15;/h2-4,7,9,11H,1,5-6,8,15H2;1H/t9-,11+;/m1./s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor (unknown origin)


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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1.03E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50596936
PNG
(CHEMBL5170784)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
PDB

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1.25E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50596946
PNG
(CHEMBL5182943)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
PDB

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1.37E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
PDB

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1.41E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
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