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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50021095   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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0.520n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta1 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta1 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220914
PNG
(1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan-2-o...)
Show SMILES OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220911
PNG
((S)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220911
PNG
((S)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50220911
PNG
((S)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta2 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220910
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220912
PNG
(1-(1H-indol-4-yloxy)-3-(cycloheptylamino)propan-2-...)
Show SMILES OC(CNC1CCCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C18H26N2O2/c21-15(12-20-14-6-3-1-2-4-7-14)13-22-18-9-5-8-17-16(18)10-11-19-17/h5,8-11,14-15,19-21H,1-4,6-7,12-13H2
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6.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220917
PNG
(1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-propa...)
Show SMILES OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2
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7.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50220911
PNG
((S)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human adrenergic beta1 receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220917
PNG
(1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-propa...)
Show SMILES OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2
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9.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220914
PNG
(1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan-2-o...)
Show SMILES OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2
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9.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220918
PNG
(1-(1H-indol-4-yloxy)-3-(cyclopentylamino)propan-2-...)
Show SMILES OC(CNC1CCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C16H22N2O2/c19-13(10-18-12-4-1-2-5-12)11-20-16-7-3-6-15-14(16)8-9-17-15/h3,6-9,12-13,17-19H,1-2,4-5,10-11H2
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220922
PNG
((S)-1-(adamantan-2-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12 |wU:1.0,TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(-3.16,-7.43,;-3.16,-8.97,;-1.82,-9.73,;-.49,-8.96,;.78,-9.83,;2.2,-9.27,;3.05,-10.43,;3.09,-11.85,;4.72,-12.48,;3.77,-11.25,;3.77,-9.73,;2.3,-11.84,;.77,-11.34,;1.71,-12.41,;-4.49,-9.74,;-5.82,-8.98,;-7.15,-9.75,;-8.49,-8.99,;-9.82,-9.76,;-9.82,-11.31,;-8.49,-12.07,;-8.17,-13.59,;-6.63,-13.75,;-6,-12.34,;-7.15,-11.3,)|
Show InChI InChI=1S/C21H28N2O2/c24-17(12-25-20-3-1-2-19-18(20)4-5-22-19)11-23-21-15-7-13-6-14(9-15)10-16(21)8-13/h1-5,13-17,21-24H,6-12H2/t13?,14?,15?,16?,17-,21?/m0/s1
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220912
PNG
(1-(1H-indol-4-yloxy)-3-(cycloheptylamino)propan-2-...)
Show SMILES OC(CNC1CCCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C18H26N2O2/c21-15(12-20-14-6-3-1-2-4-7-14)13-22-18-9-5-8-17-16(18)10-11-19-17/h5,8-11,14-15,19-21H,1-4,6-7,12-13H2
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11n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220927
PNG
((R)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m1/s1
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18n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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22n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220922
PNG
((S)-1-(adamantan-2-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12 |wU:1.0,TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(-3.16,-7.43,;-3.16,-8.97,;-1.82,-9.73,;-.49,-8.96,;.78,-9.83,;2.2,-9.27,;3.05,-10.43,;3.09,-11.85,;4.72,-12.48,;3.77,-11.25,;3.77,-9.73,;2.3,-11.84,;.77,-11.34,;1.71,-12.41,;-4.49,-9.74,;-5.82,-8.98,;-7.15,-9.75,;-8.49,-8.99,;-9.82,-9.76,;-9.82,-11.31,;-8.49,-12.07,;-8.17,-13.59,;-6.63,-13.75,;-6,-12.34,;-7.15,-11.3,)|
Show InChI InChI=1S/C21H28N2O2/c24-17(12-25-20-3-1-2-19-18(20)4-5-22-19)11-23-21-15-7-13-6-14(9-15)10-16(21)8-13/h1-5,13-17,21-24H,6-12H2/t13?,14?,15?,16?,17-,21?/m0/s1
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24n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220925
PNG
((R)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m1/s1
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26n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220915
PNG
(1-(1H-indol-4-yloxy)-3-(pentan-3-ylamino)propan-2-...)
Show SMILES CCC(CC)NCC(O)COc1cccc2[nH]ccc12 |w:7.7|
Show InChI InChI=1S/C16H24N2O2/c1-3-12(4-2)18-10-13(19)11-20-16-7-5-6-15-14(16)8-9-17-15/h5-9,12-13,17-19H,3-4,10-11H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220927
PNG
((R)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-p...)
Show SMILES O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-17(13-25-20-3-1-2-19-18(20)4-5-22-19)12-23-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-17,22-24H,6-13H2/t14?,15?,16?,17-,21?/m1/s1
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30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220930
PNG
(CHEMBL410364 | adamantan-1-yl-[3-(1H-indol-4-yloxy...)
Show SMILES COC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:2.17,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
Show InChI InChI=1S/C22H30N2O2/c1-25-18(14-26-21-4-2-3-20-19(21)5-6-23-20)13-24-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-18,23-24H,7-14H2,1H3
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32n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220918
PNG
(1-(1H-indol-4-yloxy)-3-(cyclopentylamino)propan-2-...)
Show SMILES OC(CNC1CCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C16H22N2O2/c19-13(10-18-12-4-1-2-5-12)11-20-16-7-3-6-15-14(16)8-9-17-15/h3,6-9,12-13,17-19H,1-2,4-5,10-11H2
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36n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220928
PNG
(CHEMBL238007 | N-(3-(1H-indol-4-yloxy)-2-methoxypr...)
Show SMILES COC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:2.11|
Show InChI InChI=1S/C18H26N2O2/c1-21-15(12-20-14-6-3-2-4-7-14)13-22-18-9-5-8-17-16(18)10-11-19-17/h5,8-11,14-15,19-20H,2-4,6-7,12-13H2,1H3
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41n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220915
PNG
(1-(1H-indol-4-yloxy)-3-(pentan-3-ylamino)propan-2-...)
Show SMILES CCC(CC)NCC(O)COc1cccc2[nH]ccc12 |w:7.7|
Show InChI InChI=1S/C16H24N2O2/c1-3-12(4-2)18-10-13(19)11-20-16-7-5-6-15-14(16)8-9-17-15/h5-9,12-13,17-19H,3-4,10-11H2,1-2H3
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50n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220925
PNG
((R)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)
Show SMILES O[C@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m1/s1
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51n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220924
PNG
(4-(adamantan-1-ylamino)-1-(1H-indol-4-yloxy)-butan...)
Show SMILES OC(CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
Show InChI InChI=1S/C22H30N2O2/c25-18(14-26-21-3-1-2-20-19(21)5-6-23-20)4-7-24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-3,5-6,15-18,23-25H,4,7-14H2
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76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220923
PNG
(CHEMBL237790 | N-(3-(1H-indol-4-yloxy)propyl)cyclo...)
Show SMILES C(CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C17H24N2O/c1-2-6-14(7-3-1)18-11-5-13-20-17-9-4-8-16-15(17)10-12-19-16/h4,8-10,12,14,18-19H,1-3,5-7,11,13H2
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78n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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81n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220921
PNG
(CHEMBL392392 | N-(3-(1H-indol-4-yloxy)propyl)cyclo...)
Show SMILES C(CNC1CCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C16H22N2O/c1-2-6-13(5-1)17-10-4-12-19-16-8-3-7-15-14(16)9-11-18-15/h3,7-9,11,13,17-18H,1-2,4-6,10,12H2
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94n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220920
PNG
(1-(1H-indol-4-yloxy)-4-(cyclohexylamino)butan-2-ol...)
Show SMILES OC(CCNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C18H26N2O2/c21-15(9-11-19-14-5-2-1-3-6-14)13-22-18-8-4-7-17-16(18)10-12-20-17/h4,7-8,10,12,14-15,19-21H,1-3,5-6,9,11,13H2
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125n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220921
PNG
(CHEMBL392392 | N-(3-(1H-indol-4-yloxy)propyl)cyclo...)
Show SMILES C(CNC1CCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C16H22N2O/c1-2-6-13(5-1)17-10-4-12-19-16-8-3-7-15-14(16)9-11-18-15/h3,7-9,11,13,17-18H,1-2,4-6,10,12H2
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233n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220932
PNG
(1-(adamantan-1-ylamino)-4-(1H-indol-4-yloxy)-butan...)
Show SMILES OC(CCOc1cccc2[nH]ccc12)CNC12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
Show InChI InChI=1S/C22H30N2O2/c25-18(5-7-26-21-3-1-2-20-19(21)4-6-23-20)14-24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-4,6,15-18,23-25H,5,7-14H2
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551n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220931
PNG
(1-(adamantan-1-ylamino)-3-(1H-indol-5-yloxy)-propa...)
Show SMILES OC(CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
Show InChI InChI=1S/C21H28N2O2/c24-18(13-25-19-1-2-20-17(8-19)3-4-22-20)12-23-21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,14-16,18,22-24H,5-7,9-13H2
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833n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220926
PNG
((S)-1-(adamantan-1-ylamino)-3-(1H-indol-4-yloxy)-2...)
Show SMILES C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
Show InChI InChI=1S/C22H30N2O2/c1-21(25,14-26-20-4-2-3-19-18(20)5-6-23-19)13-24-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17,23-25H,7-14H2,1H3/t15?,16?,17?,21-,22?/m0/s1
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868n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220919
PNG
(4-(1H-indol-4-yloxy)-1-(cyclohexylamino)butan-2-ol...)
Show SMILES OC(CCOc1cccc2[nH]ccc12)CNC1CCCCC1 |w:1.0|
Show InChI InChI=1S/C18H26N2O2/c21-15(13-20-14-5-2-1-3-6-14)10-12-22-18-8-4-7-17-16(18)9-11-19-17/h4,7-9,11,14-15,19-21H,1-3,5-6,10,12-13H2
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872n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220916
PNG
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)-2-met...)
Show SMILES C[C@](O)(CNC1CCCCC1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C18H26N2O2/c1-18(21,12-20-14-6-3-2-4-7-14)13-22-17-9-5-8-16-15(17)10-11-19-16/h5,8-11,14,19-21H,2-4,6-7,12-13H2,1H3/t18-/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220913
PNG
(4-(1H-indol-4-yloxy)-1-(isopropylamino)butan-2-ol ...)
Show SMILES CC(C)NCC(O)CCOc1cccc2[nH]ccc12 |w:5.5|
Show InChI InChI=1S/C15H22N2O2/c1-11(2)17-10-12(18)7-9-19-15-5-3-4-14-13(15)6-8-16-14/h3-6,8,11-12,16-18H,7,9-10H2,1-2H3
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1.77E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220929
PNG
(1-(1H-indol-5-yloxy)-3-(cyclohexylamino)propan-2-o...)
Show SMILES OC(CNC1CCCCC1)COc1ccc2[nH]ccc2c1 |w:1.0|
Show InChI InChI=1S/C17H24N2O2/c20-15(11-19-14-4-2-1-3-5-14)12-21-16-6-7-17-13(10-16)8-9-18-17/h6-10,14-15,18-20H,1-5,11-12H2
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>3.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220920
PNG
(1-(1H-indol-4-yloxy)-4-(cyclohexylamino)butan-2-ol...)
Show SMILES OC(CCNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
Show InChI InChI=1S/C18H26N2O2/c21-15(9-11-19-14-5-2-1-3-6-14)13-22-18-8-4-7-17-16(18)10-12-20-17/h4,7-8,10,12,14-15,19-21H,1-3,5-6,9,11,13H2
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n/an/an/an/a 394n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50220924
PNG
(4-(adamantan-1-ylamino)-1-(1H-indol-4-yloxy)-butan...)
Show SMILES OC(CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
Show InChI InChI=1S/C22H30N2O2/c25-18(14-26-21-3-1-2-20-19(21)5-6-23-20)4-7-24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-3,5-6,15-18,23-25H,4,7-14H2
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n/an/an/an/a 854n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5600-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.086
BindingDB Entry DOI: 10.7270/Q2FJ2GG0
More data for this
Ligand-Target Pair