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PubMed code 11378358

Compile Data Set for Download or QSAR

Found 254 hits of Enzyme Inhibition Constant Data   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.430n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Dopamine receptor D4


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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1.40n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099893
PNG
(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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2.30n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099889
PNG
(3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)
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2.80n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099887
PNG
(3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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3.30n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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3.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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3.70n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099892
PNG
(3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethy...)
Show SMILES CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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4.70n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099894
PNG
(3-[4-(4-Propyl-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)
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6.70n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099891
PNG
(3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
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34n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099892
PNG
(3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethy...)
Show SMILES CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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46n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpiride


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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103n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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148n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099887
PNG
(3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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213n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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226n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099893
PNG
(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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232n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099887
PNG
(3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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242n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099891
PNG
(3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
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318n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099892
PNG
(3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethy...)
Show SMILES CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4S/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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336n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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406n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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411n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099893
PNG
(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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412n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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438n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D2 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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453n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099889
PNG
(3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)
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509n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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627n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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668n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpiride


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50099894
PNG
(3-[4-(4-Propyl-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)
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713n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099894
PNG
(3-[4-(4-Propyl-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)
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921n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpiride


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50099887
PNG
(3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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991n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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1.66E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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1.69E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpiride


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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1.93E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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2.31E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50099893
PNG
(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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2.76E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099891
PNG
(3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
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2.79E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50099889
PNG
(3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)
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3.97E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50099888
PNG
(3-[4-(4-Ethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H24N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h3-9,14H,2,10-13,15H2,1H3,(H,21,22)
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4.46E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50099894
PNG
(3-[4-(4-Propyl-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)
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6.49E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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6.62E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50099891
PNG
(3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H19F3N4/c20-19(21,22)15-3-5-16(6-4-15)26-10-8-25(9-11-26)13-14-12-24-18-17(14)2-1-7-23-18/h1-7,12H,8-11,13H2,(H,23,24)
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7.11E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50099890
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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7.39E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50099893
PNG
(3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Opioid receptor delta 1


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Histamine H1 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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UniChem

Patents

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity of the compound to cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50099889
PNG
(3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...)
Show SMILES C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50075360
PNG
(3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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UniChem

Patents

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 11: 1375-7 (2001)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%