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PubMed code 9873746

Compile data set for download or QSAR
Found 13 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072753
PNG
((S)-1-[(3S,4R)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-...)
Show SMILES O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN2O5/c31-22-6-4-20(5-7-22)25-11-13-33(15-21(25)17-35-24-8-9-29-30(14-24)38-19-37-29)16-23(34)18-36-28-3-1-2-27-26(28)10-12-32-27/h1-10,12,14,21,23,25,32,34H,11,13,15-19H2/t21-,23-,25-/m0/s1
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 5.90n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072748
PNG
(1-{6-[(3R,4S)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4...)
Show SMILES OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C36H44FN3O5/c37-28-10-8-26(9-11-28)31-15-19-40(22-27(31)23-42-30-12-13-35-36(20-30)45-25-44-35)18-4-2-1-3-16-38-21-29(41)24-43-34-7-5-6-33-32(34)14-17-39-33/h5-14,17,20,27,29,31,38-39,41H,1-4,15-16,18-19,21-25H2/t27-,29?,31-/m1/s1
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 6.70n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072745
PNG
((S)-1-(1H-Indol-4-yloxy)-3-[(S)-3-phenyl-3-(4-trif...)
Show SMILES O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H27F3N2O3/c28-27(29,30)20-9-11-22(12-10-20)35-25(19-5-2-1-3-6-19)14-15-31-17-21(33)18-34-26-8-4-7-24-23(26)13-16-32-24/h1-13,16,21,25,31-33H,14-15,17-18H2/t21-,25-/m0/s1
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 7.80n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072743
PNG
((R)-1-[(3S,4R)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-...)
Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN2O5/c31-22-6-4-20(5-7-22)25-11-13-33(15-21(25)17-35-24-8-9-29-30(14-24)38-19-37-29)16-23(34)18-36-28-3-1-2-27-26(28)10-12-32-27/h1-10,12,14,21,23,25,32,34H,11,13,15-19H2/t21-,23+,25-/m0/s1
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 16n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072752
PNG
(1-(1H-Indol-4-yloxy)-3-[3-phenyl-3-(4-trifluoromet...)
Show SMILES OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H27F3N2O3/c28-27(29,30)20-9-11-22(12-10-20)35-25(19-5-2-1-3-6-19)14-15-31-17-21(33)18-34-26-8-4-7-24-23(26)13-16-32-24/h1-13,16,21,25,31-33H,14-15,17-18H2
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 19n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072746
PNG
((S)-1-(Naphthalen-1-yloxy)-3-[(S)-3-phenyl-3-(4-tr...)
Show SMILES O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
Show InChI InChI=1S/C29H28F3NO3/c30-29(31,32)23-13-15-25(16-14-23)36-27(22-8-2-1-3-9-22)17-18-33-19-24(34)20-35-28-12-6-10-21-7-4-5-11-26(21)28/h1-16,24,27,33-34H,17-20H2/t24-,27-/m0/s1
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 33n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072751
PNG
(1-(2-Cyclopentyl-phenoxy)-3-[3-phenyl-3-(4-trifluo...)
Show SMILES OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1ccccc1C1CCCC1
Show InChI InChI=1S/C30H34F3NO3/c31-30(32,33)24-14-16-26(17-15-24)37-28(23-10-2-1-3-11-23)18-19-34-20-25(35)21-36-29-13-7-6-12-27(29)22-8-4-5-9-22/h1-3,6-7,10-17,22,25,28,34-35H,4-5,8-9,18-21H2
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 36n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072754
PNG
((1S,2R)-2-{[2-Hydroxy-3-(1H-indol-4-yloxy)-propyla...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CNCC(O)COc1cccc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C26H33N3O3/c1-3-29(4-2)25(31)26(19-9-6-5-7-10-19)15-20(26)16-27-17-21(30)18-32-24-12-8-11-23-22(24)13-14-28-23/h5-14,20-21,27-28,30H,3-4,15-18H2,1-2H3/t20-,21?,26+/m0/s1
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 45n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072750
PNG
((R)-1-(1H-Indol-4-yloxy)-3-[(S)-3-phenyl-3-(4-trif...)
Show SMILES O[C@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C27H27F3N2O3/c28-27(29,30)20-9-11-22(12-10-20)35-25(19-5-2-1-3-6-19)14-15-31-17-21(33)18-34-26-8-4-7-24-23(26)13-16-32-24/h1-13,16,21,25,31-33H,14-15,17-18H2/t21-,25+/m1/s1
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 60n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072755
PNG
((-)-pindolol | (2S)-1-(1H-indol-4-yloxy)-3-(isopro...)
Show SMILES CC(C)NC[C@H](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/t11-/m0/s1
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 110n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072744
PNG
((R)-1-(Naphthalen-1-yloxy)-3-[(S)-3-phenyl-3-(4-tr...)
Show SMILES O[C@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
Show InChI InChI=1S/C29H28F3NO3/c30-29(31,32)23-13-15-25(16-14-23)36-27(22-8-2-1-3-9-22)17-18-33-19-24(34)20-35-28-12-6-10-21-7-4-5-11-26(21)28/h1-16,24,27,33-34H,17-20H2/t24-,27+/m1/s1
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 142n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072747
PNG
(1-{6-[(3R,4S)-3-(Benzo[1,3]dioxol-5-yloxymethyl)-4...)
Show SMILES OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C38H45FN2O5/c39-31-14-12-29(13-15-31)34-18-21-41(24-30(34)25-43-33-16-17-37-38(22-33)46-27-45-37)20-6-2-1-5-19-40-23-32(42)26-44-36-11-7-9-28-8-3-4-10-35(28)36/h3-4,7-17,22,30,32,34,40,42H,1-2,5-6,18-21,23-27H2/t30-,32?,34-/m1/s1
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 156n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50072749
PNG
(1-(Naphthalen-1-yloxy)-3-{6-[3-phenyl-3-(4-trifluo...)
Show SMILES OC(CNCCCCCCNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
Show InChI InChI=1S/C35H41F3N2O3/c36-35(37,38)29-17-19-31(20-18-29)43-33(28-12-4-3-5-13-28)21-24-39-22-8-1-2-9-23-40-25-30(41)26-42-34-16-10-14-27-11-6-7-15-32(27)34/h3-7,10-20,30,33,39-41H,1-2,8-9,21-26H2
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 391n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor

Bioorg Med Chem Lett 8: 3423-8 (1999)


BindingDB Entry DOI: 10.7270/Q23J3C4J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%