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Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'naismith' 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 1D


(Homo sapiens (Human))
BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098549
PNG
((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)|
Show InChI InChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
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1n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136466
PNG
(CHEMBL343492 | Dimethyl-[2-(6-pyridin-3-yl-indol-1...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C17H19N3/c1-19(2)10-11-20-9-7-14-5-6-15(12-17(14)20)16-4-3-8-18-13-16/h3-9,12-13H,10-11H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136469
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1
Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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2n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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2.10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136462
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCOCC1
Show InChI InChI=1S/C17H24N2O2/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136465
PNG
(CHEMBL343105 | Dimethyl-{2-[6-(tetrahydro-pyran-4-...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCOCC1
Show InChI InChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136471
PNG
((S)-1-{2-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-e...)
Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1
Show InChI InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136464
PNG
(CHEMBL138873 | Dimethyl-{2-[6-(tetrahydro-thiopyra...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCSCC1
Show InChI InChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116960
PNG
(2-[2-(6-Trifluoromethyl-indol-1-yl)-ethyl]-decahyd...)
Show SMILES FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C20H26F3N3/c21-20(22,23)17-6-5-16-7-11-26(19(16)14-17)13-12-24-8-3-10-25-9-2-1-4-18(25)15-24/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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7n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136468
PNG
(CHEMBL138821 | Dimethyl-[2-(6-thiophen-3-yl-indol-...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccsc1
Show InChI InChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116971
PNG
(6-Bromo-1-[2-(4-cyclopropylmethyl-[1,4]diazepan-1-...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC4CC4)CC3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-18-5-4-17-6-9-23(19(17)14-18)13-12-21-7-1-8-22(11-10-21)15-16-2-3-16/h4-6,9,14,16H,1-3,7-8,10-13,15H2
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9n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116970
PNG
(6-Bromo-1-[2-(4-cyclopentyl-[1,4]diazepan-1-yl)-et...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCC3)c2c1
Show InChI InChI=1S/C20H28BrN3/c21-18-7-6-17-8-11-24(20(17)16-18)15-13-22-9-3-10-23(14-12-22)19-4-1-2-5-19/h6-8,11,16,19H,1-5,9-10,12-15H2
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10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116951
PNG
(2-[2-(6-Chloro-indol-1-yl)-ethyl]-decahydro-pyrido...)
Show SMILES Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26ClN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116943
PNG
(6-Bromo-1-[2-(4-isopropyl-[1,4]diazepan-1-yl)-ethy...)
Show SMILES CC(C)N1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C18H26BrN3/c1-15(2)21-8-3-7-20(10-12-21)11-13-22-9-6-16-4-5-17(19)14-18(16)22/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3
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14n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116964
PNG
(6-Bromo-1-[2-(4-cyclopropyl-[1,4]diazepan-1-yl)-et...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CC3)c2c1
Show InChI InChI=1S/C18H24BrN3/c19-16-3-2-15-6-9-22(18(15)14-16)13-11-20-7-1-8-21(12-10-20)17-4-5-17/h2-3,6,9,14,17H,1,4-5,7-8,10-13H2
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16n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116944
PNG
(6-Bromo-1-[2-(4-cyclohexyl-[1,4]diazepan-1-yl)-eth...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1S/C21H30BrN3/c22-19-8-7-18-9-12-25(21(18)17-19)16-14-23-10-4-11-24(15-13-23)20-5-2-1-3-6-20/h7-9,12,17,20H,1-6,10-11,13-16H2
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17n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136467
PNG
(CHEMBL343712 | {2-[6-(3,6-Dihydro-2H-thiopyran-4-y...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCSCC1 |t:16|
Show InChI InChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
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22n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116966
PNG
(1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-triflu...)
Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C17H22F3N3/c1-21-6-2-7-22(10-9-21)11-12-23-8-5-14-3-4-15(13-16(14)23)17(18,19)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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23n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116958
PNG
(6-Bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...)
Show SMILES CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C16H22BrN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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31n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098550
PNG
(3,N-Dimethyl-N-[(R)-1-methyl-3-(4-methyl-piperidin...)
Show SMILES C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
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32n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136463
PNG
(CHEMBL138462 | {2-[6-(3,6-Dihydro-2H-pyran-4-yl)-i...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCOCC1 |t:16|
Show InChI InChI=1S/C17H22N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
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32n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116965
PNG
(6-Chloro-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]...)
Show SMILES CN1CCCN(CCn2ccc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C16H22ClN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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34n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116950
PNG
(6-Bromo-1-[2-(4-isobutyl-[1,4]diazepan-1-yl)-ethyl...)
Show SMILES CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C19H28BrN3/c1-16(2)15-22-8-3-7-21(10-11-22)12-13-23-9-6-17-4-5-18(20)14-19(17)23/h4-6,9,14,16H,3,7-8,10-13,15H2,1-2H3
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37n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136470
PNG
(CHEMBL139438 | Dimethyl-[2-(6-naphthalen-2-yl-indo...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N2/c1-23(2)13-14-24-12-11-18-8-10-21(16-22(18)24)20-9-7-17-5-3-4-6-19(17)15-20/h3-12,15-16H,13-14H2,1-2H3
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57n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116952
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-octahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C18H24BrN3/c19-16-5-4-15-6-8-22(18(15)13-16)12-10-20-9-11-21-7-2-1-3-17(21)14-20/h4-6,8,13,17H,1-3,7,9-12,14H2
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70n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116956
PNG
(6-Isopropenyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-e...)
Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C(C)=C)CC1
Show InChI InChI=1S/C19H27N3/c1-16(2)18-6-5-17-7-10-22(19(17)15-18)14-13-21-9-4-8-20(3)11-12-21/h5-7,10,15H,1,4,8-9,11-14H2,2-3H3
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70n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116955
PNG
(5-Bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...)
Show SMILES CN1CCCN(CCn2ccc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C16H22BrN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-13-15(17)3-4-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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88n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116948
PNG
(1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-vinyl-...)
Show SMILES CN1CCCN(CCn2ccc3ccc(C=C)cc23)CC1
Show InChI InChI=1S/C18H25N3/c1-3-16-5-6-17-7-10-21(18(17)15-16)14-13-20-9-4-8-19(2)11-12-20/h3,5-7,10,15H,1,4,8-9,11-14H2,2H3
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109n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116962
PNG
(1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-thioph...)
Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)-c2ccsc2)CC1
Show InChI InChI=1S/C20H25N3S/c1-21-7-2-8-22(11-10-21)12-13-23-9-5-17-3-4-18(15-20(17)23)19-6-14-24-16-19/h3-6,9,14-16H,2,7-8,10-13H2,1H3
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109n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116945
PNG
(6-Methyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]...)
Show SMILES CN1CCCN(CCn2ccc3ccc(C)cc23)CC1
Show InChI InChI=1S/C17H25N3/c1-15-4-5-16-6-9-20(17(16)14-15)13-12-19-8-3-7-18(2)10-11-19/h4-6,9,14H,3,7-8,10-13H2,1-2H3
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125n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116959
PNG
(1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-nitro-...)
Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)[N+]([O-])=O)CC1
Show InChI InChI=1S/C16H22N4O2/c1-17-6-2-7-18(10-9-17)11-12-19-8-5-14-3-4-15(20(21)22)13-16(14)19/h3-5,8,13H,2,6-7,9-12H2,1H3
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139n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116947
PNG
(6-Ethynyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl...)
Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C#C)CC1
Show InChI InChI=1S/C18H23N3/c1-3-16-5-6-17-7-10-21(18(17)15-16)14-13-20-9-4-8-19(2)11-12-20/h1,5-7,10,15H,4,8-9,11-14H2,2H3
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140n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116949
PNG
(6-Isopropyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-eth...)
Show SMILES CC(C)c1ccc2ccn(CCN3CCCN(C)CC3)c2c1
Show InChI InChI=1S/C19H29N3/c1-16(2)18-6-5-17-7-10-22(19(17)15-18)14-13-21-9-4-8-20(3)11-12-21/h5-7,10,15-16H,4,8-9,11-14H2,1-3H3
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145n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116968
PNG
(2-[2-(5-Bromo-indol-1-yl)-ethyl]-octahydro-pyrido[...)
Show SMILES Brc1ccc2n(CCN3CCN4CCCCC4C3)ccc2c1
Show InChI InChI=1S/C18H24BrN3/c19-16-4-5-18-15(13-16)6-8-22(18)12-10-20-9-11-21-7-2-1-3-17(21)14-20/h4-6,8,13,17H,1-3,7,9-12,14H2
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158n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116961
PNG
(6-Bromo-1-{2-[4-(2,2-dimethyl-propyl)-[1,4]diazepa...)
Show SMILES CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C20H30BrN3/c1-20(2,3)16-23-9-4-8-22(11-12-23)13-14-24-10-7-17-5-6-18(21)15-19(17)24/h5-7,10,15H,4,8-9,11-14,16H2,1-3H3
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163n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116946
PNG
(6-Ethyl-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...)
Show SMILES CCc1ccc2ccn(CCN3CCCN(C)CC3)c2c1
Show InChI InChI=1S/C18H27N3/c1-3-16-5-6-17-7-10-21(18(17)15-16)14-13-20-9-4-8-19(2)11-12-20/h5-7,10,15H,3-4,8-9,11-14H2,1-2H3
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166n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116954
PNG
(6-Benzyloxy-1-[2-(4-methyl-[1,4]diazepan-1-yl)-eth...)
Show SMILES CN1CCCN(CCn2ccc3ccc(OCc4ccccc4)cc23)CC1
Show InChI InChI=1S/C23H29N3O/c1-24-11-5-12-25(15-14-24)16-17-26-13-10-21-8-9-22(18-23(21)26)27-19-20-6-3-2-4-7-20/h2-4,6-10,13,18H,5,11-12,14-17,19H2,1H3
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182n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116953
PNG
(6-Fluoro-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]...)
Show SMILES CN1CCCN(CCn2ccc3ccc(F)cc23)CC1
Show InChI InChI=1S/C16H22FN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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288n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50116957
PNG
(6-Methoxy-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl...)
Show SMILES COc1ccc2ccn(CCN3CCCN(C)CC3)c2c1
Show InChI InChI=1S/C17H25N3O/c1-18-7-3-8-19(11-10-18)12-13-20-9-6-15-4-5-16(21-2)14-17(15)20/h4-6,9,14H,3,7-8,10-13H2,1-2H3
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1.57E+3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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4.07E+3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound wastested for its binding affinity towards 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 12: 2451-4 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101613
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O3/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101624
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O3/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101614
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)NC(C)(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-16-10-21(31)11-17(2)22(16)13-23(27)24(32)30-15-19-9-7-6-8-18(19)12-20(30)14-28-25(33)29-26(3,4)5/h6-11,20,23,31H,12-15,27H2,1-5H3,(H2,28,29,33)/t20-,23-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101629
PNG
(CHEMBL309307 | N-{2-[2-Amino-3-(4-hydroxy-2,6-dime...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-18-12-24(32)13-19(2)25(18)15-26(29)28(34)31-17-22-11-7-6-10-21(22)14-23(31)16-30-27(33)20-8-4-3-5-9-20/h3-13,23,26,32H,14-17,29H2,1-2H3,(H,30,33)/t23-,26-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101609
PNG
(1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1
Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101617
PNG
(1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36|
Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50101612
PNG
(2-Amino-1-(3-benzyloxymethyl-3,4-dihydro-1H-isoqui...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
Show InChI InChI=1S/C28H32N2O3/c1-19-12-25(31)13-20(2)26(19)15-27(29)28(32)30-16-23-11-7-6-10-22(23)14-24(30)18-33-17-21-8-4-3-5-9-21/h3-13,24,27,31H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity at cloned human delta-opioid receptor


J Med Chem 44: 2387-90 (2001)


BindingDB Entry DOI: 10.7270/Q25B01RW
More data for this
Ligand-Target Pair
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