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PubChem AID 749

Compile data set for download or QSAR
Found 44 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
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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n/an/a 629n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31041
PNG
(3-Bromo-4-chloro-7-diethylamino-chromen-2-one | 3-...)
Show SMILES CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
Show InChI InChI=1S/C13H13BrClNO2/c1-3-16(4-2)8-5-6-9-10(7-8)18-13(17)11(14)12(9)15/h5-7H,3-4H2,1-2H3
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n/an/a 999n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31072
PNG
(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1...)
Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 1.04E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31053
PNG
(8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C22H22FN5O/c1-14-12-27(8-9-28(14)16-4-3-5-17(11-16)29-2)22-21-20(24-13-25-22)18-10-15(23)6-7-19(18)26-21/h3-7,10-11,13-14,26H,8-9,12H2,1-2H3
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n/an/a 1.82E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31054
PNG
((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Show SMILES COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F
Show InChI InChI=1S/C11H7F3O5S/c1-4-3-5-7(9(16)18-4)20-10(19-5)6(8(15)17-2)11(12,13)14/h3H,1-2H3/b10-6+
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n/an/a 1.87E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31068
PNG
(2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C10H7F3N2O2S2/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 1.93E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31042
PNG
((5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl)...)
Show SMILES CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Show InChI InChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16)
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n/an/a 2.10E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31063
PNG
(2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
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n/an/a 2.13E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 2.26E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31082
PNG
(5,5-dimethyl-2-[(2-methylsulfanylanilino)methylide...)
Show SMILES CSc1ccccc1NC=C1C(=O)CC(C)(C)CC1=O
Show InChI InChI=1S/C16H19NO2S/c1-16(2)8-13(18)11(14(19)9-16)10-17-12-6-4-5-7-15(12)20-3/h4-7,10,17H,8-9H2,1-3H3
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n/an/a 2.36E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31076
PNG
(2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-pip...)
Show SMILES COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
Show InChI InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
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n/an/a 2.61E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31083
PNG
(MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...)
Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3
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n/an/a 2.62E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31066
PNG
(3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile | ...)
Show SMILES O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C10H9N5O2S/c11-7-4-8-18(16,17)10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
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n/an/a 2.79E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31062
PNG
(5-methyl-N-(5-quinolinyl)-2-thiophenesulfonamide |...)
Show SMILES Cc1ccc(s1)S(=O)(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C14H12N2O2S2/c1-10-7-8-14(19-10)20(17,18)16-13-6-2-5-12-11(13)4-3-9-15-12/h2-9,16H,1H3
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n/an/a 2.91E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31067
PNG
(4-(3,4-dimethoxyphenyl)-2-(methylsulfonyl)-6-(trif...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O4S/c1-22-10-5-4-8(6-11(10)23-2)9-7-12(14(15,16)17)19-13(18-9)24(3,20)21/h4-7H,1-3H3
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n/an/a 2.91E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31061
PNG
(4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[...)
Show SMILES Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Show InChI InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
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n/an/a 3.50E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31060
PNG
(1-cyclopentyl-3-(1-methyl-2-benzimidazolyl)-2-pyrr...)
Show SMILES Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H22N6/c1-28-18-13-7-6-12-17(18)27-22(28)19-20-23(26-16-11-5-4-10-15(16)25-20)29(21(19)24)14-8-2-3-9-14/h4-7,10-14H,2-3,8-9,24H2,1H3
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n/an/a 3.64E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31074
PNG
(MLS000062611 | N-(6-methoxy-8-quinolinyl)-4-methyl...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
Show InChI InChI=1S/C17H16N2O3S/c1-12-5-7-15(8-6-12)23(20,21)19-16-11-14(22-2)10-13-4-3-9-18-17(13)16/h3-11,19H,1-2H3
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n/an/a 3.75E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31043
PNG
(3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e]...)
Show SMILES Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]
Show InChI InChI=1S/C13H11N5O3/c1-8-2-4-9(5-3-8)16-14-12-10(17(16)19)6-7-11-13(12)15-21-18(11)20/h2-5H,6-7H2,1H3
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n/an/a 3.91E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31081
PNG
(7-(hydroxymethyl)-2-(4-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,16,23-25H,12H2
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n/an/a 4.91E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31071
PNG
((E)-3-[5-(1-azepanyl)-2-furanyl]-2-(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
Show InChI InChI=1S/C19H19FN2O/c20-17-7-5-15(6-8-17)16(14-21)13-18-9-10-19(23-18)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2/b16-13-
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n/an/a 5.20E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31080
PNG
(1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-pi...)
Show SMILES COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
Show InChI InChI=1S/C24H26N6O/c1-17-7-8-22(18(2)13-17)30-24-21(15-27-30)23(25-16-26-24)29-11-9-28(10-12-29)19-5-4-6-20(14-19)31-3/h4-8,13-16H,9-12H2,1-3H3
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n/an/a 6.99E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 8.24E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 9.22E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31052
PNG
(1-[1,1-bis(trifluoromethyl)propyl]-3-[5-(trifluoro...)
Show SMILES CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C9H7F9N4OS/c1-2-6(8(13,14)15,9(16,17)18)20-4(23)19-5-22-21-3(24-5)7(10,11)12/h2H2,1H3,(H2,19,20,22,23)
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n/an/a 1.01E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 1.08E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31045
PNG
(1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O
Show InChI InChI=1S/C19H16N4O3/c1-2-23-14-10-6-3-7-11(14)16(24)15(18(23)26)17(25)22-19-20-12-8-4-5-9-13(12)21-19/h3-10,24H,2H2,1H3,(H2,20,21,22,25)
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n/an/a 1.40E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31075
PNG
(1-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-[4-(4-morp...)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H23N5O4/c33-27(28-18-5-8-20(9-6-18)32-11-15-34-16-12-32)29-19-7-10-21-22(17-19)31-26(24-4-2-14-36-24)25(30-21)23-3-1-13-35-23/h1-10,13-14,17H,11-12,15-16H2,(H2,28,29,33)
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n/an/a 1.72E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31056
PNG
(6-(2,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-7H-[1,2...)
Show SMILES CCOc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC
Show InChI InChI=1S/C20H20N4O3S/c1-4-27-15-7-5-6-13(10-15)19-21-22-20-24(19)23-17(12-28-20)16-11-14(25-2)8-9-18(16)26-3/h5-11H,4,12H2,1-3H3
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n/an/a 3.27E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31070
PNG
(1-(4-methoxyphenyl)-3-(4-pyridylmethylamino)pyrrol...)
Show SMILES COc1ccc(cc1)-n1c(O)cc(NCc2ccncc2)c1O
Show InChI InChI=1S/C17H17N3O3/c1-23-14-4-2-13(3-5-14)20-16(21)10-15(17(20)22)19-11-12-6-8-18-9-7-12/h2-10,19,21-22H,11H2,1H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31069
PNG
(5-bromanyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)p...)
Show SMILES Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
Show InChI InChI=1S/C17H10BrN3O3/c18-14-8-7-13(23-14)16(22)20-11-5-3-10(4-6-11)17-21-15-12(24-17)2-1-9-19-15/h1-9H,(H,20,22)
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31047
PNG
((5-Phenylsulfanyl-1H-benzoimidazol-2-yl)-carbamic ...)
Show SMILES COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
Show InChI InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31065
PNG
(2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
Show InChI InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31079
PNG
(2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C23H29NO6/c1-5-8-29-9-10-30-23(26)22-14(2)21-18(24-22)11-15(12-19(21)25)17-13-16(27-3)6-7-20(17)28-4/h6-7,13,15,24H,5,8-12H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31048
PNG
(AJ119,(+) | MLS000069646 | N-(6-propoxy-1H-benzimi...)
Show SMILES CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31059
PNG
(2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,...)
Show SMILES COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31055
PNG
(1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea | M...)
Show SMILES CC(C)=CCC(C)(C)CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C16H30N2O/c1-13(2)10-11-16(3,4)12-17-15(19)18-14-8-6-5-7-9-14/h10,14H,5-9,11-12H2,1-4H3,(H2,17,18,19)
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31050
PNG
(6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazol...)
Show SMILES CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C15H18N4O2S/c1-4-5-14-16-17-15-19(14)18-11(9-22-15)10-6-7-12(20-2)13(8-10)21-3/h6-8H,4-5,9H2,1-3H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31073
PNG
(2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6...)
Show SMILES CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
Show InChI InChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29)
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31058
PNG
(3-(2-methoxyphenyl)-6-p-phenetyl-7H-[1,2,4]triazol...)
Show SMILES CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31057
PNG
((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Show SMILES COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-11(15)16-18-19-17-21(16)20-12(9-25-17)10-6-7-13(22)14(23)8-10/h2-8,22-23H,9H2,1H3
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PCBioAssay
n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31077
PNG
(MLS000114784 | N-(1-cyano-9,10-dimethoxy-2,3,6,7-t...)
Show SMILES COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC
Show InChI InChI=1S/C22H21N3O4S/c1-28-19-12-15-10-11-25-21(24-30(26,27)17-6-4-3-5-7-17)9-8-16(14-23)22(25)18(15)13-20(19)29-2/h3-7,9,12-13,24H,8,10-11H2,1-2H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31078
PNG
(2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5,6,7,7a-te...)
Show SMILES COc1ccc(cc1)C1N2CCCC2C(=O)N1c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O2/c1-24-16-10-4-13(5-11-16)18-21-12-2-3-17(21)19(23)22(18)15-8-6-14(20)7-9-15/h4-11,17-18H,2-3,12H2,1H3
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.41E+8n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%