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Compile Data Set for Download or QSAR

Found 17038 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A (5HT2A)'   
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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/an/an/a 0.503n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50307812
PNG
(1-[3-(4-Bromo-2-methyl-2Hpyrazol-3-yl)-4-methoxyph...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C
Show InChI InChI=1S/C18H16BrClN4O2/c1-24-17(15(19)10-21-24)14-9-13(7-8-16(14)26-2)23-18(25)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H2,22,23,25)
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n/an/an/an/a 0.700n/an/an/an/a



Arena Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Activity at human 5HT2A receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation counting


J Med Chem 53: 1923-36 (2010)


Article DOI: 10.1021/jm9007328
BindingDB Entry DOI: 10.7270/Q24B31FP
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 1.90n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM20652
PNG
(N-[(2S)-butan-2-yl]-4-{[5-(methoxycarbamoyl)-2-met...)
Show SMILES CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1/C21H26N6O3/c1-6-13(3)24-21(29)16-10-27-18(14(16)4)19(22-11-23-27)25-17-9-15(8-7-12(17)2)20(28)26-30-5/h7-11,13H,6H2,1-5H3,(H,24,29)(H,26,28)(H,22,23,25)/t13-/s2
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n/an/a 3n/a<2n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM20656
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1
Show InChI InChI=1S/C23H23N7O3/c1-14-7-8-16(22(31)29-33-3)10-19(14)28-21-20-15(2)18(12-30(20)27-13-26-21)23(32)25-11-17-6-4-5-9-24-17/h4-10,12-13H,11H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 1.20n/a 2.40n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.40n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 2.60n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.60n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098525
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50334405
PNG
(10-[3-(4-Fluoro-phenoxy)-azetidin-1-yl]-6,7,8,9-te...)
Show SMILES Fc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
Show InChI InChI=1S/C19H20FN5O/c20-13-1-3-14(4-2-13)26-15-11-24(12-15)19-16-5-8-21-9-6-17(16)23-18-7-10-22-25(18)19/h1-4,7,10,15,21H,5-6,8-9,11-12H2
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n/an/an/an/a 3n/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay


Bioorg Med Chem Lett 21: 34-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.089
BindingDB Entry DOI: 10.7270/Q2CR5TMH
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098530
PNG
(1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']d...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h2-5,7H,6,18H2,1H3/p+1/t7-/m1/s1
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n/an/an/an/a 3.80n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50331286
PNG
(2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...)
Show SMILES NCCc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 4.10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50097677
PNG
(CHEMBL3589582)
Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3
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n/an/an/an/a 4.60n/an/an/a25



University of Copenhagen

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 4.60n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 5.10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 5.80n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 52: 1885-902 (2009)


Article DOI: 10.1021/jm801354e
BindingDB Entry DOI: 10.7270/Q2DB81R3
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50073691
PNG
(2-(5-Methyl-1H-indol-3-yl)-ethylamine | 5-Methyl-t...)
Show SMILES Cc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50238071
PNG
(CHEMBL4079857)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)
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n/an/an/an/a 6.30n/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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n/an/an/an/a 6.30n/an/an/a25



University of Copenhagen

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50025221
PNG
(CHEMBL1906905)
Show SMILES CC(N)Cc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1/C11H13ClN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 6.30n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM36476
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C34H34N8O5/c1-34(2)46-18-23-15-20(10-13-28(23)47-34)16-25(29(43)35-3)37-31-38-32(40-33(45)39-31)42-19-36-24-12-11-22(17-27(24)42)30(44)41-14-6-8-21-7-4-5-9-26(21)41/h4-5,7,9-13,15,17,19,25H,6,8,14,16,18H2,1-3H3,(H,35,43)(H2,37,38,39,40,45)/t25-/m0/s1
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n/an/an/an/a<7n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)


Article DOI: 10.1038/nchembio.211
BindingDB Entry DOI: 10.7270/Q2MP51NX
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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n/an/an/an/a 7.40n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 7.60n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux measured every sec for 3 mins by FLIPR assay


ACS Med Chem Lett 2: 929-932 (2011)


Article DOI: 10.1021/ml200206z
BindingDB Entry DOI: 10.7270/Q2959JKS
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50238084
PNG
(CHEMBL4085333)
Show SMILES CC(O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
Show InChI InChI=1/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27)
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n/an/an/an/a 7.90n/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
Show InChI InChI=1S/C18H13F2N5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)
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n/an/an/an/a 7.90n/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50238072
PNG
(CHEMBL4104104)
Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12
Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)
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n/an/an/an/a 7.90n/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of mouse kidney


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM36474
PNG
((S)-3-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2...)
Show SMILES CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1
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n/an/an/an/a<8n/an/a9.516



Praecis Pharmaceuticals



Assay Description
Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combinatio...


Nat Chem Biol 5: 647-54 (2009)


Article DOI: 10.1038/nchembio.211
BindingDB Entry DOI: 10.7270/Q2MP51NX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098532
PNG
(2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES C[C@@H]([NH3+])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/p+1/t7-/m1/s1
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n/an/an/an/a 8.38n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor


J Med Chem 44: 1003-10 (2001)


Article DOI: 10.1021/jm000491y
BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50025197
PNG
(CHEMBL96816)
Show SMILES CC(N)Cc1c[nH]c2ccc(F)cc12
Show InChI InChI=1/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3
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n/an/an/an/a 8.5n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50025223
PNG
(CHEMBL343529)
Show SMILES COc1cccc2[nH]cc(CCN)c12
Show InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5-6,12H2,1H3
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n/an/an/an/a 9n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346279
PNG
(US10202377, Compound 55)
Show SMILES Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccccc1F
Show InChI InChI=1S/C24H16FN7/c25-18-6-2-1-4-15(18)16-5-3-7-19-22(16)30-24(29-19)23-17-9-20(28-12-21(17)31-32-23)13-8-14(26)11-27-10-13/h1-12H,26H2,(H,29,30)(H,31,32)
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n/an/an/an/a 9n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346271
PNG
(US10202377, Compound 13)
Show SMILES CN(C)Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccc(F)c1
Show InChI InChI=1S/C27H22FN7/c1-35(2)15-16-9-18(13-29-12-16)23-11-21-24(14-30-23)33-34-26(21)27-31-22-8-4-7-20(25(22)32-27)17-5-3-6-19(28)10-17/h3-14H,15H2,1-2H3,(H,31,32)(H,33,34)
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n/an/an/an/a 9n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346269
PNG
(US10202377, Compound 1)
Show SMILES CCC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccc(F)c1
Show InChI InChI=1S/C27H20FN7O/c1-2-24(36)31-18-10-16(12-29-13-18)22-11-20-23(14-30-22)34-35-26(20)27-32-21-8-4-7-19(25(21)33-27)15-5-3-6-17(28)9-15/h3-14H,2H2,1H3,(H,31,36)(H,32,33)(H,34,35)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346283
PNG
(US10202377, Compound 82)
Show SMILES c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C23H15N7/c1-6-16(14-4-2-8-24-11-14)21-18(7-1)27-23(28-21)22-17-10-19(15-5-3-9-25-12-15)26-13-20(17)29-30-22/h1-13H,(H,27,28)(H,29,30)
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n/an/an/an/a 9n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346285
PNG
(US10202377, Compound 90)
Show SMILES CC(C)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C26H22N8/c1-15(2)30-18-9-17(12-28-13-18)22-10-20-23(14-29-22)33-34-25(20)26-31-21-7-3-6-19(24(21)32-26)16-5-4-8-27-11-16/h3-15,30H,1-2H3,(H,31,32)(H,33,34)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346286
PNG
(US10202377, Compound 93)
Show SMILES C(N1CCCCC1)c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C29H26N8/c1-2-10-37(11-3-1)18-19-12-21(16-31-14-19)25-13-23-26(17-32-25)35-36-28(23)29-33-24-8-4-7-22(27(24)34-29)20-6-5-9-30-15-20/h4-9,12-17H,1-3,10-11,18H2,(H,33,34)(H,35,36)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346287
PNG
(US10202377, Compound 101)
Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C31H24N8/c1-2-6-20(7-3-1)14-33-15-21-12-23(18-34-16-21)27-13-25-28(19-35-27)38-39-30(25)31-36-26-10-4-9-24(29(26)37-31)22-8-5-11-32-17-22/h1-13,16-19,33H,14-15H2,(H,36,37)(H,38,39)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346294
PNG
(US10202377, Compound 154)
Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccccn1)C1CCCC1
Show InChI InChI=1S/C30H28N8/c1-2-7-19(6-1)14-31-15-20-12-21(17-32-16-20)26-13-23-27(18-34-26)37-38-29(23)30-35-25-10-5-8-22(28(25)36-30)24-9-3-4-11-33-24/h3-5,8-13,16-19,31H,1-2,6-7,14-15H2,(H,35,36)(H,37,38)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346296
PNG
(US10202377, Compound 169)
Show SMILES CN(C)Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C26H28N8/c1-33(2)16-17-11-18(14-27-13-17)21-12-19-22(15-28-21)31-32-24(19)26-29-20-7-6-8-23(25(20)30-26)34-9-4-3-5-10-34/h6-8,11-15H,3-5,9-10,16H2,1-2H3,(H,29,30)(H,31,32)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346298
PNG
(US10202377, Compound 181)
Show SMILES FC1(F)CCN(Cc2cncc(c2)-c2cc3c(n[nH]c3cn2)-c2nc3c(cccc3[nH]2)N2CCCCC2)C1
Show InChI InChI=1S/C28H28F2N8/c29-28(30)7-10-37(17-28)16-18-11-19(14-31-13-18)22-12-20-23(15-32-22)35-36-25(20)27-33-21-5-4-6-24(26(21)34-27)38-8-2-1-3-9-38/h4-6,11-15H,1-3,7-10,16-17H2,(H,33,34)(H,35,36)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346300
PNG
(US10202377, Compound 190)
Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C(C)(C)C)c1
Show InChI InChI=1S/C27H25N9O/c1-15-13-36(14-30-15)22-7-5-6-19-24(22)33-25(32-19)23-18-9-20(29-12-21(18)34-35-23)16-8-17(11-28-10-16)31-26(37)27(2,3)4/h5-14H,1-4H3,(H,31,37)(H,32,33)(H,34,35)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346301
PNG
(US10202377, Compound 196)
Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C27H25N9/c1-17-14-36(16-30-17)24-6-4-5-21-26(24)32-27(31-21)25-20-10-22(29-13-23(20)33-34-25)19-9-18(11-28-12-19)15-35-7-2-3-8-35/h4-6,9-14,16H,2-3,7-8,15H2,1H3,(H,31,32)(H,33,34)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346302
PNG
(US10202377, Compound 202)
Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C2CCC2)c1
Show InChI InChI=1S/C27H23N9O/c1-15-13-36(14-30-15)23-7-3-6-20-25(23)33-26(32-20)24-19-9-21(29-12-22(19)34-35-24)17-8-18(11-28-10-17)31-27(37)16-4-2-5-16/h3,6-14,16H,2,4-5H2,1H3,(H,31,37)(H,32,33)(H,34,35)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346308
PNG
(US10202377, Compound 234)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncnc1
Show InChI InChI=1S/C22H21N9/c1-30-5-7-31(8-6-30)19-4-2-3-16-21(19)27-22(26-16)20-15-9-17(14-10-23-13-24-11-14)25-12-18(15)28-29-20/h2-4,9-13H,5-8H2,1H3,(H,26,27)(H,28,29)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM346313
PNG
(US10202377, Compound 265)
Show SMILES Cc1ccncc1-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1
Show InChI InChI=1S/C23H16N6S/c1-13-5-7-24-10-17(13)19-9-16-20(11-25-19)28-29-22(16)23-26-18-4-2-3-15(21(18)27-23)14-6-8-30-12-14/h2-12H,1H3,(H,26,27)(H,28,29)
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Samumed, LLC

US Patent


Assay Description
Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...


US Patent US10202377 (2019)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q2639RV7
More data for this
Ligand-Target Pair
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