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PubChem AID 720639

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114604
PNG
(4-chloranyl-N-methyl-N-[4-[4-(phenylmethyl)piperaz...)
Show SMILES CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O3S/c1-27(33(31,32)24-13-9-22(26)10-14-24)23-11-7-21(8-12-23)25(30)29-17-15-28(16-18-29)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114631
PNG
(2-[4-(2-fluorobenzyl)piperazino]pyrimidine | 2-[4-...)
Show SMILES Fc1ccccc1CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C15H17FN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114608
PNG
(1-(4-benzoxybenzyl)-4-(2-pyridyl)piperazine | 1-[(...)
Show SMILES C(Oc1ccc(CN2CCN(CC2)c2ccccn2)cc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-2-6-21(7-3-1)19-27-22-11-9-20(10-12-22)18-25-14-16-26(17-15-25)23-8-4-5-13-24-23/h1-13H,14-19H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM50325274
PNG
(4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-e...)
Show SMILES CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114622
PNG
(2-[4-(2,4-dimethylbenzyl)piperazino]pyrimidine | 2...)
Show SMILES Cc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1
Show InChI InChI=1S/C17H22N4/c1-14-4-5-16(15(2)12-14)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114623
PNG
(1-(2-pyridinyl)-4-(3-thiophenylmethyl)piperazine |...)
Show SMILES C(N1CCN(CC1)c1ccccn1)c1ccsc1
Show InChI InChI=1S/C14H17N3S/c1-2-5-15-14(3-1)17-8-6-16(7-9-17)11-13-4-10-18-12-13/h1-5,10,12H,6-9,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114625
PNG
(2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazino]pyr...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(C)c1C
Show InChI InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38788
PNG
(MLS000108391 | SMR000104349 | [4-(3-ethoxy-4-metho...)
Show SMILES CCOc1cc(CN2CCN(CC2)C(=O)c2ccco2)ccc1OC
Show InChI InChI=1S/C19H24N2O4/c1-3-24-18-13-15(6-7-16(18)23-2)14-20-8-10-21(11-9-20)19(22)17-5-4-12-25-17/h4-7,12-13H,3,8-11,14H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38726
PNG
(2-[4-(3-fluorobenzyl)piperazino]pyrimidine | 2-[4-...)
Show SMILES Fc1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C15H17FN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM72487
PNG
(MLS000733547 | SMR000316874 | [1-(1-benzofuran-2-y...)
Show SMILES OCC1(Cc2cccc(c2)C(F)(F)F)CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)19-6-3-4-17(12-19)14-22(16-28)8-10-27(11-9-22)15-20-13-18-5-1-2-7-21(18)29-20/h1-7,12-13,28H,8-11,14-16H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114626
PNG
(2-[4-(3,5-dimethoxybenzyl)piperazino]pyrimidine | ...)
Show SMILES COc1cc(CN2CCN(CC2)c2ncccn2)cc(OC)c1
Show InChI InChI=1S/C17H22N4O2/c1-22-15-10-14(11-16(12-15)23-2)13-20-6-8-21(9-7-20)17-18-4-3-5-19-17/h3-5,10-12H,6-9,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38681
PNG
(1-(3-methylbenzyl)-4-(2-pyridyl)piperazine | 1-[(3...)
Show SMILES Cc1cccc(CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C17H21N3/c1-15-5-4-6-16(13-15)14-19-9-11-20(12-10-19)17-7-2-3-8-18-17/h2-8,13H,9-12,14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM50010618
PNG
((+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-...)
Show SMILES CCCN1CCC[C@@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114630
PNG
(SR-01000757051 | SR-01000757051-2 | [1-(1-phenoxyp...)
Show SMILES CC(COc1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H29NO2/c1-19(17-25-21-10-6-3-7-11-21)23-14-12-22(18-24,13-15-23)16-20-8-4-2-5-9-20/h2-11,19,24H,12-18H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114632
PNG
(2-[4-(3-bromobenzyl)piperazino]pyrimidine | 2-[4-[...)
Show SMILES Brc1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C15H17BrN4/c16-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-17-5-2-6-18-15/h1-6,11H,7-10,12H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM86053
PNG
(B-HT 920 | CAS_101626-70-4 | CHEMBL279085 | NSC_10...)
Show SMILES Nc1nc2CCN(CC=C)CCc2s1
Show InChI InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114599
PNG
(1-(3-methoxyphenoxy)-3-(4-pyridin-2-ylpiperazin-1-...)
Show SMILES COc1cccc(OCC(O)CN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H25N3O3/c1-24-17-5-4-6-18(13-17)25-15-16(23)14-21-9-11-22(12-10-21)19-7-2-3-8-20-19/h2-8,13,16,23H,9-12,14-15H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114600
PNG
(2-[4-(3,4-dichlorobenzyl)piperazino]pyrimidine | 2...)
Show SMILES Clc1ccc(CN2CCN(CC2)c2ncccn2)cc1Cl
Show InChI InChI=1S/C15H16Cl2N4/c16-13-3-2-12(10-14(13)17)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114601
PNG
(1-(6-bromanylnaphthalen-2-yl)oxy-3-(4-pyridin-2-yl...)
Show SMILES OC(COc1ccc2cc(Br)ccc2c1)CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H24BrN3O2/c23-19-6-4-18-14-21(7-5-17(18)13-19)28-16-20(27)15-25-9-11-26(12-10-25)22-3-1-2-8-24-22/h1-8,13-14,20,27H,9-12,15-16H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38732
PNG
(2-furanyl-[4-[(4-methoxy-3-phenylmethoxyphenyl)met...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114611
PNG
(2-[4-(2-chlorobenzyl)piperazino]pyrimidine | 2-[4-...)
Show SMILES Clc1ccccc1CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114614
PNG
((4-benzylpiperazin-1-yl)-[3-(2,2-dichloroethenyl)-...)
Show SMILES CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H24Cl2N2O/c1-19(2)15(12-16(20)21)17(19)18(24)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7,12,15,17H,8-11,13H2,1-2H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114617
PNG
(2-[4-(4-chlorobenzyl)piperazino]pyrimidine | 2-[4-...)
Show SMILES Clc1ccc(CN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C15H17ClN4/c16-14-4-2-13(3-5-14)12-19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-12H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114621
PNG
(4-[4-(2-hydroxy-3-piperidino-propoxy)benzyl]pipera...)
Show SMILES CCOC(=O)N1CCN(Cc2ccc(OCC(O)CN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C22H35N3O4/c1-2-28-22(27)25-14-12-24(13-15-25)16-19-6-8-21(9-7-19)29-18-20(26)17-23-10-4-3-5-11-23/h6-9,20,26H,2-5,10-18H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM76106
PNG
(6-(1-benzimidazolylmethyl)-4-(2,5-dimethylphenyl)-...)
Show SMILES COC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C
Show InChI InChI=1S/C22H22N4O3/c1-13-8-9-14(2)15(10-13)20-19(21(27)29-3)17(24-22(28)25-20)11-26-12-23-16-6-4-5-7-18(16)26/h4-10,12,19-20H,11H2,1-3H3,(H,25,28)
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n/an/an/an/a 3.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114607
PNG
(SR-01000756790 | SR-01000756790-2 | [1-(1-benzofur...)
Show SMILES COc1ccc(CC2(CO)CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H27NO3/c1-26-20-8-6-18(7-9-20)15-23(17-25)10-12-24(13-11-23)16-21-14-19-4-2-3-5-22(19)27-21/h2-9,14,25H,10-13,15-17H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM47101
PNG
(2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-...)
Show SMILES CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O
Show InChI InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114624
PNG
(1-(2,4-dimethoxybenzyl)-4-(2-pyridyl)piperazine | ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccccn2)c(OC)c1
Show InChI InChI=1S/C18H23N3O2/c1-22-16-7-6-15(17(13-16)23-2)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13H,9-12,14H2,1-2H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114627
PNG
(1-[(5-methyl-2-thienyl)methyl]-4-(2-pyridyl)pipera...)
Show SMILES Cc1ccc(CN2CCN(CC2)c2ccccn2)s1
Show InChI InChI=1S/C15H19N3S/c1-13-5-6-14(19-13)12-17-8-10-18(11-9-17)15-4-2-3-7-16-15/h2-7H,8-12H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114609
PNG
(1-[3-(4-chlorophenoxy)benzyl]isonipecotic acid eth...)
Show SMILES CCOC(=O)C1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C21H24ClNO3/c1-2-25-21(24)17-10-12-23(13-11-17)15-16-4-3-5-20(14-16)26-19-8-6-18(22)7-9-19/h3-9,14,17H,2,10-13,15H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114612
PNG
(2-(4-benzylpiperazin-1-yl)pyrimidine | 2-(4-benzyl...)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1ccccc1
Show InChI InChI=1S/C15H18N4/c1-2-5-14(6-3-1)13-18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-13H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM81195
PNG
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES NC1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114620
PNG
(1-[2-(2,3-dichlorophenoxy)ethyl]-3,5-dimethyl-pipe...)
Show SMILES CC1CC(C)CN(CCOc2cccc(Cl)c2Cl)C1
Show InChI InChI=1S/C15H21Cl2NO/c1-11-8-12(2)10-18(9-11)6-7-19-14-5-3-4-13(16)15(14)17/h3-5,11-12H,6-10H2,1-2H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114629
PNG
(2-methoxy-N-[2-(4-phenyl-1-piperazinyl)ethyl]benza...)
Show SMILES COc1ccccc1C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)20(24)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38741
PNG
(1-[(3-methyl-2-thienyl)methyl]-4-(2-pyridyl)pipera...)
Show SMILES Cc1ccsc1CN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C15H19N3S/c1-13-5-11-19-14(13)12-17-7-9-18(10-8-17)15-4-2-3-6-16-15/h2-6,11H,7-10,12H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38727
PNG
(MLS000109510 | SMR000105453 | [4-(4-chlorobenzyl)p...)
Show SMILES Clc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C16H17ClN2O2/c17-14-5-3-13(4-6-14)12-18-7-9-19(10-8-18)16(20)15-2-1-11-21-15/h1-6,11H,7-10,12H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114603
PNG
(N-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl...)
Show SMILES COc1cccc(c1)-n1cc(CNCc2cn(C)nc2-c2ccccc2F)cn1
Show InChI InChI=1S/C22H22FN5O/c1-27-15-17(22(26-27)20-8-3-4-9-21(20)23)13-24-11-16-12-25-28(14-16)18-6-5-7-19(10-18)29-2/h3-10,12,14-15,24H,11,13H2,1-2H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114605
PNG
(2-[4-(2,5-difluorobenzyl)piperazino]pyrimidine | 2...)
Show SMILES Fc1ccc(F)c(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C15H16F2N4/c16-13-2-3-14(17)12(10-13)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM84340
PNG
(1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorop...)
Show SMILES CC(=O)N1CCc2cc(ccc12)C(=O)CN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-17-13-18(5-6-21(17)26)22(28)15-24-9-11-25(12-10-24)20-4-2-3-19(23)14-20/h2-6,13-14H,7-12,15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38696
PNG
(2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine | ...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1
Show InChI InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114613
PNG
(1-[(5-bromanylthiophen-2-yl)methyl]-4-pyridin-2-yl...)
Show SMILES Brc1ccc(CN2CCN(CC2)c2ccccn2)s1
Show InChI InChI=1S/C14H16BrN3S/c15-13-5-4-12(19-13)11-17-7-9-18(10-8-17)14-3-1-2-6-16-14/h1-6H,7-11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114616
PNG
(2-[4-[(5-methyl-2-furanyl)methyl]-1-piperazinyl]py...)
Show SMILES Cc1ccc(CN2CCN(CC2)c2ncccn2)o1
Show InChI InChI=1S/C14H18N4O/c1-12-3-4-13(19-12)11-17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2-6H,7-11H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM45364
PNG
(MLS000047378 | N-(4-phenoxyphenyl)-2-(4-pyridin-2-...)
Show SMILES O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H24N4O2/c28-23(18-26-14-16-27(17-15-26)22-8-4-5-13-24-22)25-19-9-11-21(12-10-19)29-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,25,28)
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114628
PNG
(4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin...)
Show SMILES COc1cc(Br)cc(CN2CCN(CC2)c2ncccn2)c1O
Show InChI InChI=1S/C16H19BrN4O2/c1-23-14-10-13(17)9-12(15(14)22)11-20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8,11H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM70294
PNG
(BROMOCRIPTINE MESYLATE | MLS000069543 | SMR0000587...)
Show SMILES CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23?,24+,25+,31-,32+;/m1./s1
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM38235
PNG
(1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidi...)
Show SMILES CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C17H24FN3O/c1-14(22)19-8-6-15(7-9-19)20-10-12-21(13-11-20)17-5-3-2-4-16(17)18/h2-5,15H,6-13H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114610
PNG
(1-(2-chlorobenzyl)-4-phenyl-piperazine | 1-[(2-chl...)
Show SMILES Clc1ccccc1CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C17H19ClN2/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)16-7-2-1-3-8-16/h1-9H,10-14H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM25746
PNG
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114615
PNG
(4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol |...)
Show SMILES Oc1ccc(CN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C15H18N4O/c20-14-4-2-13(3-5-14)12-18-8-10-19(11-9-18)15-16-6-1-7-17-15/h1-7,20H,8-12H2
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM50033116
PNG
((1R,3S)-3-Adamantan-1-yl-1-aminomethyl-isochroman-...)
Show SMILES NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114618
PNG
(3-[4-(2-fluorophenyl)piperazino]-N-p-phenetyl-prop...)
Show SMILES CCOc1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2F)cc1
Show InChI InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114619
PNG
(SR-01000460453 | SR-01000460453-3 | [4-(4-ethylben...)
Show SMILES CCc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C18H22N2O2/c1-2-15-5-7-16(8-6-15)14-19-9-11-20(12-10-19)18(21)17-4-3-13-22-17/h3-8,13H,2,9-12,14H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM114606
PNG
(2-[4-(3-methylbenzyl)piperazino]pyrimidine | 2-[4-...)
Show SMILES Cc1cccc(CN2CCN(CC2)c2ncccn2)c1
Show InChI InChI=1S/C16H20N4/c1-14-4-2-5-15(12-14)13-19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7,12H,8-11,13H2,1H3
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n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%