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Compile Data Set for Download or QSAR

Found 83 hits from Alcon Research, Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PTGFR


(BOVINE)
BDBM50150906
PNG
((E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-3-hydrox...)
Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(O)COc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+/t19?,21-,22-,23+,24-/m1/s1
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52n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150899
PNG
((E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydrox...)
Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
Show InChI InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1
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92n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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129n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150898
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h1,3,6-8,11-13,17,19-21,24-25H,2,4-5,9-10,14-15H2,(H,26,27)/b3-1-,12-11+/t17-,19+,20+,21-/m1/s1
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147n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150904
PNG
((Z)-8-[(2R,3S,4R)-4-Hydroxy-2-((E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h1,3-6,9-10,13-14,17,19-21,23-24H,2,7-8,11-12,15-16H2,(H,25,26)/b3-1-,14-13+/t17-,19+,20+,21-/m1/s1
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330n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150892
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h1,3,6-8,11-13,17,19-21,27-28H,2,4-5,9-10,14-15H2,(H,29,30)/b3-1-,12-11+/t17-,19+,20+,21-/m1/s1
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350n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150902
PNG
((Z)-8-[(2R,3S,4R)-4-Hydroxy-2-((E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h2,4-7,9-10,13-14,17,19-21,23-24H,1,3,8,11-12,15-16H2,(H,25,26)/b7-2-,14-13+/t17-,19+,20+,21-/m1/s1
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640n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150896
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(S)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h1,3,6-8,11-13,17,19-21,24-25H,2,4-5,9-10,14-15H2,(H,26,27)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1
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820n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150900
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h2,4,6-8,11-13,17,19-21,24-25H,1,3,5,9-10,14-15H2,(H,26,27)/b4-2-,12-11+/t17-,19+,20+,21-/m1/s1
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890n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150891
PNG
((Z)-8-[(R)-4-Hydroxy-2-((1R,2S,4S)-3-hydroxy-4-phe...)
Show SMILES O[C@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h2,4-7,9-10,13-14,17,19-21,23-24H,1,3,8,11-12,15-16H2,(H,25,26)/b7-2-,14-13+/t17-,19-,20-,21+/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150894
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(R)-3-hydroxy-4...)
Show SMILES O[C@@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h2,4,6-8,11-13,17,19-21,27-28H,1,3,5,9-10,14-15H2,(H,29,30)/b4-2-,12-11+/t17-,19+,20+,21-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150897
PNG
((Z)-8-[(2R,3S,4R)-4-Hydroxy-2-((E)-(S)-3-hydroxy-4...)
Show SMILES O[C@H](COc1ccccc1)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C22H30O6/c23-17(15-27-18-9-5-4-6-10-18)13-14-21-19(20(24)16-28-21)11-7-2-1-3-8-12-22(25)26/h1,3-6,9-10,13-14,17,19-21,23-24H,2,7-8,11-12,15-16H2,(H,25,26)/b3-1-,14-13+/t17-,19-,20-,21+/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150903
PNG
((Z)-7-[(2R,3S,4R)-4-Hydroxy-2-((E)-(S)-3-hydroxy-o...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C19H32O5/c1-2-3-6-9-15(20)12-13-18-16(17(21)14-24-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
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6.70E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150901
PNG
((Z)-8-{(2R,3S,4R)-2-[(E)-(S)-4-(3-Chloro-phenoxy)-...)
Show SMILES O[C@H](COc1cccc(Cl)c1)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h2,4,6-8,11-13,17,19-21,24-25H,1,3,5,9-10,14-15H2,(H,26,27)/b4-2-,12-11+/t17-,19-,20-,21+/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150893
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(S)-3-hydroxy-4...)
Show SMILES O[C@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1CCC\C=C/CCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h1,3,6-8,11-13,17,19-21,27-28H,2,4-5,9-10,14-15H2,(H,29,30)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1
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9.90E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150905
PNG
((Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(S)-3-hydroxy-4...)
Show SMILES O[C@H](COc1cccc(c1)C(F)(F)F)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h2,4,6-8,11-13,17,19-21,27-28H,1,3,5,9-10,14-15H2,(H,29,30)/b4-2-,12-11+/t17-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
PTGFR


(BOVINE)
BDBM50150895
PNG
((Z)-7-[(2R,3S,4R)-4-Hydroxy-2-((E)-(R)-3-hydroxy-o...)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1OC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
Show InChI InChI=1S/C19H32O5/c1-2-3-6-9-15(20)12-13-18-16(17(21)14-24-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Prostanoid FP receptor of bovine corpus luteum


Bioorg Med Chem Lett 14: 4525-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.037
BindingDB Entry DOI: 10.7270/Q2513ZZS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210089
PNG
((R)-2-(8-methoxymethyl-benzo[1,2-b;4,5-b']difuran-...)
Show SMILES COCc1c2ccoc2c(C[C@@H](C)N)c2ccoc12
Show InChI InChI=1S/C15H17NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h3-6,9H,7-8,16H2,1-2H3/t9-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210078
PNG
((R)-2-(8-methoxymethyl-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210093
PNG
(CHEMBL393077 | [8-((R)-2-amino-propyl)-benzo[1,2-b...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(CO)c2ccoc12
Show InChI InChI=1S/C14H15NO3/c1-8(15)6-11-9-2-4-18-14(9)12(7-16)10-3-5-17-13(10)11/h2-5,8,16H,6-7,15H2,1H3/t8-/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210092
PNG
(3-[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo...)
Show SMILES COC(=O)CCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H23NO4/c1-10(18)9-14-13-6-8-21-16(13)11(3-4-15(19)20-2)12-5-7-22-17(12)14/h10H,3-9,18H2,1-2H3/t10-/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210088
PNG
((R)-1-methyl-2-{8-[2-(3-methyl-[1,2,4]oxadiazol-5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CCc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C18H23N3O3/c1-10(19)9-15-14-6-8-22-17(14)12(13-5-7-23-18(13)15)3-4-16-20-11(2)21-24-16/h10H,3-9,19H2,1-2H3/t10-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210087
PNG
(CHEMBL394664 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CO)c2CCOc12
Show InChI InChI=1S/C14H19NO3/c1-8(15)6-11-9-2-4-18-14(9)12(7-16)10-3-5-17-13(10)11/h8,16H,2-7,15H2,1H3/t8-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210091
PNG
((1S,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210080
PNG
(8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COC(=O)c1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H19NO4/c1-8(16)7-11-9-3-5-20-14(9)12(15(17)18-2)10-4-6-19-13(10)11/h8H,3-7,16H2,1-2H3/t8-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210090
PNG
(CHEMBL232997 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CC(O)=O)c2CCOc12
Show InChI InChI=1S/C15H19NO4/c1-8(16)6-11-9-2-4-20-15(9)12(7-13(17)18)10-3-5-19-14(10)11/h8H,2-7,16H2,1H3,(H,17,18)/t8-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210086
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(-c2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C16H19N3O3/c1-8(17)7-12-10-3-5-21-15(10)13(11-4-6-20-14(11)12)16-18-9(2)19-22-16/h8H,3-7,17H2,1-2H3/t8-/m1/s1
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n/an/a 910n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210082
PNG
(3-[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CCC(O)=O)c2CCOc12
Show InChI InChI=1S/C16H21NO4/c1-9(17)8-13-12-5-7-20-15(12)10(2-3-14(18)19)11-4-6-21-16(11)13/h9H,2-8,17H2,1H3,(H,18,19)/t9-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 5.80n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210080
PNG
(8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COC(=O)c1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H19NO4/c1-8(16)7-11-9-3-5-20-14(9)12(15(17)18-2)10-4-6-19-13(10)11/h8H,3-7,16H2,1-2H3/t8-/m1/s1
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n/an/an/an/a 880n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 32.7n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 71n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 6.20n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/an/an/a 6.20n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210078
PNG
((R)-2-(8-methoxymethyl-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 16.9n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210089
PNG
((R)-2-(8-methoxymethyl-benzo[1,2-b;4,5-b']difuran-...)
Show SMILES COCc1c2ccoc2c(C[C@@H](C)N)c2ccoc12
Show InChI InChI=1S/C15H17NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h3-6,9H,7-8,16H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 689n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210087
PNG
(CHEMBL394664 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CO)c2CCOc12
Show InChI InChI=1S/C14H19NO3/c1-8(15)6-11-9-2-4-18-14(9)12(7-16)10-3-5-17-13(10)11/h8,16H,2-7,15H2,1H3/t8-/m1/s1
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n/an/an/an/a 175n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 49.2n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
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