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Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'dosa' and Initial = 'pi'   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50114703
PNG
(CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
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0.0100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114703
PNG
(CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
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0.0200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114716
PNG
(CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)
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0.0500n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301481
PNG
(1-(4-chlorophenyl)-3-(4-(2-(4-methoxypiperidin-1-y...)
Show SMILES COC1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
Show InChI InChI=1S/C25H30ClN5O3/c1-30-23(9-12-27-30)22-17-20(29-25(32)28-19-5-3-18(26)4-6-19)7-8-24(22)34-16-15-31-13-10-21(33-2)11-14-31/h3-9,12,17,21H,10-11,13-16H2,1-2H3,(H2,28,29,32)
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0.120n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301506
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morp...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1 |(27.36,-35.94,;27.33,-37.48,;28.56,-38.41,;28.05,-39.87,;26.51,-39.83,;25.57,-41.06,;26.07,-38.36,;24.62,-37.84,;23.29,-38.61,;21.95,-37.84,;20.62,-38.61,;19.29,-37.85,;19.29,-36.31,;17.96,-38.62,;16.62,-37.85,;16.61,-36.3,;15.28,-35.54,;13.95,-36.31,;12.62,-35.54,;13.95,-37.85,;15.28,-38.62,;15.28,-40.16,;21.95,-36.31,;23.27,-35.53,;24.62,-36.3,;25.95,-35.53,;25.94,-33.99,;27.28,-33.21,;28.61,-33.97,;29.37,-35.3,;30.89,-35.31,;31.67,-33.99,;30.9,-32.66,;29.37,-32.65,)|
Show InChI InChI=1S/C23H24ClF2N5O3/c1-30-22(18(24)14-27-30)17-13-16(28-23(32)29-20-4-2-15(25)12-19(20)26)3-5-21(17)34-11-8-31-6-9-33-10-7-31/h2-5,12-14H,6-11H2,1H3,(H2,28,29,32)
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0.150n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301511
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C23H26ClN5O2/c1-28-21(10-11-25-28)20-16-19(27-23(30)26-18-6-4-17(24)5-7-18)8-9-22(20)31-15-14-29-12-2-3-13-29/h4-11,16H,2-3,12-15H2,1H3,(H2,26,27,30)
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0.150n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301502
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(28.77,-15.18,;28.73,-16.71,;29.96,-17.65,;29.45,-19.1,;27.91,-19.07,;26.98,-20.29,;27.47,-17.59,;26.02,-17.07,;24.69,-17.84,;23.36,-17.07,;22.03,-17.85,;20.69,-17.08,;20.69,-15.54,;19.36,-17.85,;18.03,-17.08,;18.02,-15.53,;16.69,-14.77,;15.36,-15.54,;14.02,-14.77,;15.35,-17.08,;16.69,-17.85,;16.69,-19.39,;23.35,-15.54,;24.68,-14.76,;26.02,-15.53,;27.35,-14.76,;27.35,-13.22,;28.68,-12.44,;30.02,-13.21,;30.19,-14.73,;31.69,-15.05,;32.46,-13.71,;31.42,-12.57,)|
Show InChI InChI=1S/C23H24BrF2N5O2/c1-30-22(18(24)14-27-30)17-13-16(5-7-21(17)33-11-10-31-8-2-3-9-31)28-23(32)29-20-6-4-15(25)12-19(20)26/h4-7,12-14H,2-3,8-11H2,1H3,(H2,28,29,32)
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0.180n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301517
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C23H26ClN5O3/c1-28-21(8-9-25-28)20-16-19(27-23(30)26-18-4-2-17(24)3-5-18)6-7-22(20)32-15-12-29-10-13-31-14-11-29/h2-9,16H,10-15H2,1H3,(H2,26,27,30)
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0.190n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301476
PNG
(1-(4-(2-(1,4-oxazepan-4-yl)ethoxy)-3-(1-methyl-1H-...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCOCC1
Show InChI InChI=1S/C24H28ClN5O3/c1-29-22(9-10-26-29)21-17-20(28-24(31)27-19-5-3-18(25)4-6-19)7-8-23(21)33-16-13-30-11-2-14-32-15-12-30/h3-10,17H,2,11-16H2,1H3,(H2,27,28,31)
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0.220n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301495
PNG
(1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C25H28F3N5O2/c1-32-22(10-11-29-32)21-17-20(8-9-23(21)35-15-14-33-12-3-2-4-13-33)31-24(34)30-19-7-5-6-18(16-19)25(26,27)28/h5-11,16-17H,2-4,12-15H2,1H3,(H2,30,31,34)
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0.25n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301510
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyr...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(29.87,3.61,;29.84,2.07,;31.07,1.14,;30.56,-.32,;29.02,-.28,;28.09,-1.51,;28.58,1.19,;27.13,1.71,;25.8,.94,;24.47,1.71,;23.13,.94,;21.8,1.7,;21.8,3.24,;20.47,.93,;19.13,1.7,;17.8,.93,;16.46,1.7,;16.46,3.24,;15.13,4.01,;17.79,4.01,;19.13,3.25,;24.46,3.24,;25.79,4.02,;27.13,3.25,;28.46,4.02,;28.46,5.56,;29.79,6.34,;31.12,5.57,;31.6,4.11,;33.14,4.12,;33.61,5.59,;32.36,6.49,)|
Show InChI InChI=1S/C23H25Cl2N5O2/c1-29-22(20(25)15-26-29)19-14-18(28-23(31)27-17-6-4-16(24)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)
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0.260n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301503
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyr...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(4.41,-24.98,;4.38,-26.52,;5.61,-27.45,;5.1,-28.91,;3.56,-28.87,;2.62,-30.1,;3.12,-27.4,;1.67,-26.88,;.34,-27.65,;-1,-26.88,;-2.33,-27.65,;-3.66,-26.88,;-3.67,-25.35,;-5,-27.66,;-6.33,-26.89,;-6.34,-25.34,;-7.67,-24.58,;-9,-25.35,;-10.33,-24.58,;-9,-26.89,;-7.67,-27.66,;-7.67,-29.2,;-1.01,-25.35,;.32,-24.57,;1.66,-25.34,;3,-24.56,;2.99,-23.03,;4.32,-22.25,;5.66,-23.02,;5.83,-24.54,;7.34,-24.85,;8.1,-23.52,;7.07,-22.38,)|
Show InChI InChI=1S/C23H24ClF2N5O2/c1-30-22(18(24)14-27-30)17-13-16(5-7-21(17)33-11-10-31-8-2-3-9-31)28-23(32)29-20-6-4-15(25)12-19(20)26/h4-7,12-14H,2-3,8-11H2,1H3,(H2,28,29,32)
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0.280n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301509
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(5.77,3.8,;5.74,2.26,;6.97,1.33,;6.46,-.13,;4.92,-.09,;3.98,-1.31,;4.48,1.39,;3.03,1.9,;1.7,1.13,;.36,1.9,;-.97,1.13,;-2.3,1.9,;-2.31,3.44,;-3.64,1.13,;-4.97,1.89,;-6.31,1.12,;-7.64,1.89,;-7.64,3.44,;-8.97,4.21,;-6.31,4.21,;-4.98,3.44,;.36,3.44,;1.68,4.21,;3.03,3.44,;4.36,4.22,;4.35,5.76,;5.68,6.53,;7.02,5.77,;7.5,4.31,;9.04,4.32,;9.51,5.78,;8.26,6.68,)|
Show InChI InChI=1S/C23H25BrClN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)
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0.280n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301507
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morp...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCOCC1 |(4.32,-45.59,;4.29,-47.13,;5.52,-48.06,;5.01,-49.52,;3.47,-49.48,;2.54,-50.7,;3.03,-48,;1.58,-47.49,;.25,-48.26,;-1.08,-47.49,;-2.42,-48.26,;-3.75,-47.49,;-3.75,-45.95,;-5.08,-48.26,;-6.42,-47.49,;-7.75,-48.27,;-9.09,-47.5,;-10.42,-48.26,;-9.09,-45.95,;-7.76,-45.18,;-7.76,-43.64,;-6.42,-45.94,;-1.09,-45.95,;.24,-45.18,;1.58,-45.94,;2.91,-45.17,;2.91,-43.63,;4.24,-42.86,;5.57,-43.62,;6.33,-44.95,;7.86,-44.95,;8.63,-43.63,;7.87,-42.3,;6.33,-42.29,)|
Show InChI InChI=1S/C23H24ClF2N5O3/c1-30-22(20(24)14-27-30)19-13-17(28-23(32)29-18-11-15(25)10-16(26)12-18)2-3-21(19)34-9-6-31-4-7-33-8-5-31/h2-3,10-14H,4-9H2,1H3,(H2,28,29,32)
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0.310n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301488
PNG
(1-(3-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C24H28ClN5O2/c1-29-22(10-11-26-29)21-17-20(28-24(31)27-19-7-5-6-18(25)16-19)8-9-23(21)32-15-14-30-12-3-2-4-13-30/h5-11,16-17H,2-4,12-15H2,1H3,(H2,27,28,31)
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0.330n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301496
PNG
(1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C25H28F3N5O2/c1-32-22(11-12-29-32)21-17-20(9-10-23(21)35-16-15-33-13-3-2-4-14-33)31-24(34)30-19-7-5-18(6-8-19)25(26,27)28/h5-12,17H,2-4,13-16H2,1H3,(H2,30,31,34)
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0.340n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301504
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCC1 |(28.29,-24.64,;28.25,-26.18,;29.48,-27.11,;28.97,-28.57,;27.43,-28.53,;26.5,-29.76,;26.99,-27.06,;25.54,-26.54,;24.21,-27.31,;22.88,-26.54,;21.55,-27.31,;20.21,-26.54,;20.21,-25,;18.88,-27.32,;17.55,-26.55,;16.21,-27.32,;14.87,-26.55,;14.88,-25.01,;13.54,-24.24,;16.21,-24.23,;17.54,-25,;22.87,-25.01,;24.2,-24.23,;25.54,-25,;26.87,-24.22,;26.87,-22.68,;28.2,-21.91,;29.54,-22.68,;29.71,-24.2,;31.22,-24.51,;31.98,-23.18,;30.95,-22.04,)|
Show InChI InChI=1S/C23H25BrFN5O2/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-6-4-16(25)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)
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0.360n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50367061
PNG
(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301514
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C24H28ClN5O2/c1-29-22(11-12-26-29)21-17-20(28-24(31)27-19-7-5-18(25)6-8-19)9-10-23(21)32-16-15-30-13-3-2-4-14-30/h5-12,17H,2-4,13-16H2,1H3,(H2,27,28,31)
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0.410n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301480
PNG
(1-(4-chlorophenyl)-3-(4-(2-(4-hydroxypiperidin-1-y...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC(O)CC1
Show InChI InChI=1S/C24H28ClN5O3/c1-29-22(8-11-26-29)21-16-19(28-24(32)27-18-4-2-17(25)3-5-18)6-7-23(21)33-15-14-30-12-9-20(31)10-13-30/h2-8,11,16,20,31H,9-10,12-15H2,1H3,(H2,27,28,32)
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0.420n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301513
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pip...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(4.23,-16.28,;4.2,-17.82,;5.43,-18.75,;4.92,-20.21,;3.38,-20.17,;2.44,-21.39,;2.94,-18.69,;1.49,-18.18,;.16,-18.95,;-1.18,-18.18,;-2.51,-18.95,;-3.84,-18.18,;-3.85,-16.64,;-5.18,-18.95,;-6.51,-18.19,;-7.85,-18.96,;-9.18,-18.19,;-9.18,-16.64,;-10.51,-15.87,;-7.85,-15.87,;-6.52,-16.64,;-1.18,-16.64,;.14,-15.87,;1.49,-16.64,;2.82,-15.86,;2.81,-14.32,;4.14,-13.55,;5.48,-14.31,;5.48,-15.85,;6.81,-16.62,;8.14,-15.85,;8.14,-14.31,;6.8,-13.53,)|
Show InChI InChI=1S/C24H27Cl2N5O2/c1-30-23(21(26)16-27-30)20-15-19(29-24(32)28-18-7-5-17(25)6-8-18)9-10-22(20)33-14-13-31-11-3-2-4-12-31/h5-10,15-16H,2-4,11-14H2,1H3,(H2,28,29,32)
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0.430n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301518
PNG
(1-(4-chlorophenyl)-3-(4-(2-(diethylamino)ethoxy)-3...)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
Show InChI InChI=1S/C23H28ClN5O2/c1-4-29(5-2)14-15-31-22-11-10-19(16-20(22)21-12-13-25-28(21)3)27-23(30)26-18-8-6-17(24)7-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,27,30)
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0.430n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | IMMEPIP | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.479n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50324540
PNG
(CHEMBL1215661 | Pruvanserin)
Show SMILES Fc1ccc(CCN2CCN(CC2)C(=O)c2cccc3c(c[nH]c23)C#N)cc1
Show InChI InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2
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0.480n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 53: 5696-706 (2010)


Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50324541
PNG
(1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyp...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |(4.32,-10.34,;4.33,-11.88,;3,-12.66,;1.65,-11.89,;.32,-12.66,;.33,-14.2,;-1,-14.97,;-2.33,-14.2,;-2.34,-12.66,;-3.67,-14.97,;-5,-14.21,;-6.34,-14.98,;-7.67,-14.21,;-7.67,-12.66,;-9.01,-11.89,;-6.34,-11.89,;-5.01,-12.66,;-3.68,-11.88,;1.67,-14.97,;3,-14.2,;4.33,-14.97,;4.09,-16.48,;2.72,-17.18,;5.46,-17.18,;6.55,-16.08,;5.84,-14.71,;6.54,-13.34,)|
Show InChI InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)
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0.510n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 53: 5696-706 (2010)


Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301494
PNG
(1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OCCN3CCCCC3)c(c2)-c2ccnn2C)cc1
Show InChI InChI=1S/C25H31N5O3/c1-29-23(12-13-26-29)22-18-20(28-25(31)27-19-6-9-21(32-2)10-7-19)8-11-24(22)33-17-16-30-14-4-3-5-15-30/h6-13,18H,3-5,14-17H2,1-2H3,(H2,27,28,31)
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0.540n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50426499
PNG
(CHEMBL2323581)
Show SMILES COC(OC)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1S/C19H26N2O2/c1-20-10-12-9-17-15(14-6-5-7-16(20)18(12)14)8-13(11-21(17)2)19(22-3)23-4/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15-,17-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 254-258 (2013)


Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301519
PNG
(1-(4-chlorophenyl)-3-(4-(3-(diethylamino)propoxy)-...)
Show SMILES CCN(CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
Show InChI InChI=1S/C24H30ClN5O2/c1-4-30(5-2)15-6-16-32-23-12-11-20(17-21(23)22-13-14-26-29(22)3)28-24(31)27-19-9-7-18(25)8-10-19/h7-14,17H,4-6,15-16H2,1-3H3,(H2,27,28,31)
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0.550n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301475
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCSCC1
Show InChI InChI=1S/C23H26ClN5O2S/c1-28-21(8-9-25-28)20-16-19(27-23(30)26-18-4-2-17(24)3-5-18)6-7-22(20)31-13-10-29-11-14-32-15-12-29/h2-9,16H,10-15H2,1H3,(H2,26,27,30)
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0.580n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50319414
PNG
(CHEMBL1085155 | [3-(2-Methyl-2H-pyrazol-3-yl)-4-(2...)
Show SMILES Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCCC1
Show InChI InChI=1S/C24H25F3N4O2/c1-30-21(9-10-28-30)20-16-19(7-8-22(20)33-14-13-31-11-2-3-12-31)29-23(32)17-5-4-6-18(15-17)24(25,26)27/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 4412-21 (2010)


Article DOI: 10.1021/jm100044a
BindingDB Entry DOI: 10.7270/Q2KK9BZV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50319419
PNG
(CHEMBL1086075 | N-[3-(4-Chloro-2-methyl-2H-pyrazol...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(F)c2)ccc1OCCN1CCOCC1 |(-5.98,-34.34,;-5.66,-35.84,;-6.69,-36.99,;-5.92,-38.32,;-4.41,-38,;-3.26,-39.03,;-4.25,-36.47,;-2.92,-35.7,;-1.59,-36.48,;-.25,-35.7,;1.09,-36.47,;2.42,-35.7,;2.42,-34.16,;3.75,-36.47,;3.75,-38,;5.08,-38.77,;6.41,-38,;6.41,-36.45,;7.74,-35.67,;5.07,-35.69,;-.26,-34.15,;-1.59,-33.39,;-2.92,-34.16,;-4.25,-33.39,;-4.25,-31.85,;-5.59,-31.08,;-5.59,-29.54,;-4.25,-28.77,;-4.25,-27.24,;-5.58,-26.46,;-6.92,-27.23,;-6.92,-28.77,)|
Show InChI InChI=1S/C23H24ClFN4O3/c1-28-22(20(24)15-26-28)19-14-18(27-23(30)16-3-2-4-17(25)13-16)5-6-21(19)32-12-9-29-7-10-31-11-8-29/h2-6,13-15H,7-12H2,1H3,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 4412-21 (2010)


Article DOI: 10.1021/jm100044a
BindingDB Entry DOI: 10.7270/Q2KK9BZV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301516
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morp...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(29.57,-25.86,;29.54,-27.4,;30.77,-28.33,;30.26,-29.79,;28.72,-29.75,;27.78,-30.98,;28.28,-28.28,;26.83,-27.76,;25.5,-28.53,;24.16,-27.76,;22.83,-28.53,;21.5,-27.77,;21.49,-26.23,;20.16,-28.54,;18.83,-27.77,;17.49,-28.54,;16.16,-27.77,;16.16,-26.23,;14.83,-25.46,;17.49,-25.46,;18.82,-26.22,;24.16,-26.23,;25.48,-25.45,;26.83,-26.22,;28.16,-25.45,;28.15,-23.91,;29.48,-23.13,;30.82,-23.9,;30.82,-25.44,;32.15,-26.2,;33.48,-25.43,;33.48,-23.89,;32.14,-23.12,)|
Show InChI InChI=1S/C23H25Cl2N5O3/c1-29-22(20(25)15-26-29)19-14-18(28-23(31)27-17-4-2-16(24)3-5-17)6-7-21(19)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,27,28,31)
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0.610n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301515
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-morph...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCOCC1 |(4.32,-25.83,;4.29,-27.37,;5.52,-28.3,;5.01,-29.76,;3.47,-29.72,;2.54,-30.95,;3.03,-28.25,;1.58,-27.73,;.25,-28.5,;-1.08,-27.73,;-2.42,-28.5,;-3.75,-27.73,;-3.75,-26.19,;-5.08,-28.51,;-6.42,-27.74,;-7.75,-28.51,;-9.09,-27.74,;-9.09,-26.2,;-10.42,-25.43,;-7.76,-25.42,;-6.42,-26.19,;-1.09,-26.2,;.24,-25.42,;1.58,-26.19,;2.91,-25.41,;2.91,-23.87,;4.24,-23.1,;5.57,-23.87,;5.57,-25.4,;6.9,-26.17,;8.24,-25.4,;8.23,-23.86,;6.9,-23.08,)|
Show InChI InChI=1S/C23H25BrClN5O3/c1-29-22(20(24)15-26-29)19-14-18(28-23(31)27-17-4-2-16(25)3-5-17)6-7-21(19)33-13-10-30-8-11-32-12-9-30/h2-7,14-15H,8-13H2,1H3,(H2,27,28,31)
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0.630n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301512
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pipe...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 |(28.26,-6.71,;28.23,-8.25,;29.46,-9.19,;28.95,-10.64,;27.41,-10.6,;26.47,-11.83,;26.97,-9.13,;25.52,-8.61,;24.19,-9.38,;22.86,-8.61,;21.52,-9.38,;20.19,-8.62,;20.19,-7.08,;18.86,-9.39,;17.52,-8.62,;16.18,-9.39,;14.85,-8.62,;14.85,-7.08,;13.52,-6.31,;16.18,-6.31,;17.52,-7.07,;22.85,-7.08,;24.17,-6.3,;25.52,-7.07,;26.85,-6.3,;26.84,-4.76,;28.18,-3.98,;29.51,-4.75,;29.51,-6.29,;30.84,-7.05,;32.17,-6.28,;32.17,-4.74,;30.83,-3.97,)|
Show InChI InChI=1S/C24H27BrClN5O2/c1-30-23(21(25)16-27-30)20-15-19(29-24(32)28-18-7-5-17(26)6-8-18)9-10-22(20)33-14-13-31-11-3-2-4-12-31/h5-10,15-16H,2-4,11-14H2,1H3,(H2,28,29,32)
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0.660n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301482
PNG
(1-(4-(2-(azetidin-1-yl)ethoxy)-3-(1-methyl-1H-pyra...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCC1
Show InChI InChI=1S/C22H24ClN5O2/c1-27-20(9-10-24-27)19-15-18(7-8-21(19)30-14-13-28-11-2-12-28)26-22(29)25-17-5-3-16(23)4-6-17/h3-10,15H,2,11-14H2,1H3,(H2,25,26,29)
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0.690n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50199326
PNG
(CHEMBL217673 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-14-32-25(29)27-33(30,31)24-11-8-21(15-19(2)3)16-23(24)22-9-6-20(7-10-22)17-28-13-12-26-18-28/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,27,29)
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0.700n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50319421
PNG
(CHEMBL1086317 | N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-...)
Show SMILES Cn1nccc1-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C24H25F3N4O3/c1-30-21(7-8-28-30)20-16-19(5-6-22(20)34-14-11-31-9-12-33-13-10-31)29-23(32)17-3-2-4-18(15-17)24(25,26)27/h2-8,15-16H,9-14H2,1H3,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting


J Med Chem 53: 4412-21 (2010)


Article DOI: 10.1021/jm100044a
BindingDB Entry DOI: 10.7270/Q2KK9BZV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301508
PNG
(1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C23H26FN5O3/c1-28-21(7-8-25-28)20-16-19(27-23(30)26-18-4-2-3-17(24)15-18)5-6-22(20)32-14-11-29-9-12-31-13-10-29/h2-8,15-16H,9-14H2,1H3,(H2,26,27,30)
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0.820n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301491
PNG
(1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2ccc(F)cc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C24H28FN5O2/c1-29-22(11-12-26-29)21-17-20(28-24(31)27-19-7-5-18(25)6-8-19)9-10-23(21)32-16-15-30-13-3-2-4-14-30/h5-12,17H,2-4,13-16H2,1H3,(H2,27,28,31)
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0.840n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301484
PNG
(1-(4-chlorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES CC1CCCCN1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C
Show InChI InChI=1S/C25H30ClN5O2/c1-18-5-3-4-14-31(18)15-16-33-24-11-10-21(17-22(24)23-12-13-27-30(23)2)29-25(32)28-20-8-6-19(26)7-9-20/h6-13,17-18H,3-5,14-16H2,1-2H3,(H2,28,29,32)
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0.840n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301501
PNG
(1-(4-(2-(diethylamino)ethoxy)-3-(1-methyl-1H-pyraz...)
Show SMILES CCN(CC)CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1ccnn1C
Show InChI InChI=1S/C23H28FN5O2/c1-4-29(5-2)14-15-31-22-11-10-19(16-20(22)21-12-13-25-28(21)3)27-23(30)26-18-8-6-17(24)7-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H2,26,27,30)
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0.860n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301500
PNG
(1-(3,5-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C24H27F2N5O2/c1-30-22(7-8-27-30)21-16-19(28-24(32)29-20-14-17(25)13-18(26)15-20)5-6-23(21)33-12-11-31-9-3-2-4-10-31/h5-8,13-16H,2-4,9-12H2,1H3,(H2,28,29,32)
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0.910n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301479
PNG
(1-(4-(2-(4-acetylpiperazin-1-yl)ethoxy)-3-(1-methy...)
Show SMILES CC(=O)N1CCN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)CC1
Show InChI InChI=1S/C25H29ClN6O3/c1-18(33)32-13-11-31(12-14-32)15-16-35-24-8-7-21(17-22(24)23-9-10-27-30(23)2)29-25(34)28-20-5-3-19(26)4-6-20/h3-10,17H,11-16H2,1-2H3,(H2,28,29,34)
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0.960n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50426500
PNG
(CHEMBL2323580)
Show SMILES CN(C)CCCNC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1S/C22H32N4O/c1-24(2)10-6-9-23-22(27)16-11-18-17-7-5-8-19-21(17)15(13-25(19)3)12-20(18)26(4)14-16/h5,7-8,13,16,18,20H,6,9-12,14H2,1-4H3,(H,23,27)/t16-,18-,20-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 254-258 (2013)


Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301483
PNG
(1-(4-chlorophenyl)-3-(4-(2-(3-methoxyazetidin-1-yl...)
Show SMILES COC1CN(CCOc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2ccnn2C)C1
Show InChI InChI=1S/C23H26ClN5O3/c1-28-21(9-10-25-28)20-13-18(27-23(30)26-17-5-3-16(24)4-6-17)7-8-22(20)32-12-11-29-14-19(15-29)31-2/h3-10,13,19H,11-12,14-15H2,1-2H3,(H2,26,27,30)
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0.990n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50301490
PNG
(1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Nc2cccc(F)c2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C24H28FN5O2/c1-29-22(10-11-26-29)21-17-20(28-24(31)27-19-7-5-6-18(25)16-19)8-9-23(21)32-15-14-30-12-3-2-4-13-30/h5-11,16-17H,2-4,12-15H2,1H3,(H2,27,28,31)
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0.990n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50426498
PNG
(1,6-Dimethylcabergoline | CHEMBL2323579)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1S/C25H37N5O2/c1-6-26-25(32)30(12-8-11-27(2)3)24(31)18-13-20-19-9-7-10-21-23(19)17(15-28(21)4)14-22(20)29(5)16-18/h7,9-10,15,18,20,22H,6,8,11-14,16H2,1-5H3,(H,26,32)/t18-,20-,22-/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I](+/-)DOI from human 5-HT2B receptor trasfected in CHO cell membrane after 60 mins by scintillation counting analysis


ACS Med Chem Lett 4: 254-258 (2013)


Article DOI: 10.1021/ml3003814
BindingDB Entry DOI: 10.7270/Q2S183T4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50324551
PNG
((4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(2,4-difl...)
Show SMILES Cn1cc(Br)c(n1)C(=O)N1CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C17H19BrF2N4O/c1-22-11-14(18)16(21-22)17(25)24-8-6-23(7-9-24)5-4-12-2-3-13(19)10-15(12)20/h2-3,10-11H,4-9H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting


J Med Chem 53: 5696-706 (2010)


Article DOI: 10.1021/jm100479q
BindingDB Entry DOI: 10.7270/Q2CV4HZX
More data for this
Ligand-Target Pair
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