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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with all data for assayid = 33 entry = 50044465   
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


(Homo sapiens (Human))
BDBM50018022
PNG
(CHEMBL3289944)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H28N4O2S2/c1-18-7-6-8-19(17-18)30(27,28)23-11-4-5-12-25-13-15-26(16-14-25)22-20-9-2-3-10-21(20)29-24-22/h2-3,6-10,17,23H,4-5,11-16H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018231
PNG
(CHEMBL3290003)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-21-10-11-23-24(18-21)33-29-26(23)20-12-16-30(17-13-20)15-4-3-14-28-34(31,32)25-9-5-7-19-6-1-2-8-22(19)25/h1-2,5-11,18,20,28H,3-4,12-17H2
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0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018243
PNG
(CHEMBL3290008)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
Show InChI InChI=1S/C26H27ClFN3O3S/c27-21-5-3-20-16-23(7-4-19(20)15-21)35(32,33)29-11-1-2-12-31-13-9-18(10-14-31)26-24-8-6-22(28)17-25(24)34-30-26/h3-8,15-18,29H,1-2,9-14H2
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0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018019
PNG
(CHEMBL3290012)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C24H26FN3O3S2/c25-19-7-8-20-21(16-19)31-27-24(20)17-9-13-28(14-10-17)12-4-3-11-26-33(29,30)23-15-18-5-1-2-6-22(18)32-23/h1-2,5-8,15-17,26H,3-4,9-14H2
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0.600n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018190
PNG
(CHEMBL3289978)
Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1noc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28N4O3S/c30-33(31,22-12-11-20-7-1-2-8-21(20)19-22)26-13-5-6-14-28-15-17-29(18-16-28)25-23-9-3-4-10-24(23)32-27-25/h1-4,7-12,19,26H,5-6,13-18H2
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0.700n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018250
PNG
(CHEMBL3290016)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C25H27F2N3O3S2/c1-16-21-14-18(26)5-7-23(21)34-25(16)35(31,32)28-10-2-3-11-30-12-8-17(9-13-30)24-20-6-4-19(27)15-22(20)33-29-24/h4-7,14-15,17,28H,2-3,8-13H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018223
PNG
(CHEMBL3290001)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C24H24FN3O3S/c25-19-8-9-21-22(16-19)31-27-24(21)18-10-13-28(14-11-18)15-12-26-32(29,30)23-7-3-5-17-4-1-2-6-20(17)23/h1-9,16,18,26H,10-15H2
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0.700n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018248
PNG
(CHEMBL3290014)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
Show InChI InChI=1S/C24H25ClFN3O3S2/c25-18-4-3-17-13-23(33-22(17)14-18)34(30,31)27-9-1-2-10-29-11-7-16(8-12-29)24-20-6-5-19(26)15-21(20)32-28-24/h3-6,13-16,27H,1-2,7-12H2
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0.800n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018246
PNG
(CHEMBL3290011)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cc3ccccc3s2)CC1
Show InChI InChI=1S/C23H24FN3O3S2/c24-18-6-7-19-20(15-18)30-26-23(19)16-8-12-27(13-9-16)11-3-10-25-32(28,29)22-14-17-4-1-2-5-21(17)31-22/h1-2,4-7,14-16,25H,3,8-13H2
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0.900n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018031
PNG
(CHEMBL3289952)
Show SMILES O=S(=O)(NCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N4O2S2/c28-31(29,20-10-9-18-5-1-2-6-19(18)17-20)24-11-12-26-13-15-27(16-14-26)23-21-7-3-4-8-22(21)30-25-23/h1-10,17,24H,11-16H2
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0.900n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018251
PNG
(CHEMBL3290017)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C25H27ClFN3O3S2/c1-16-21-14-18(26)4-7-23(21)34-25(16)35(31,32)28-10-2-3-11-30-12-8-17(9-13-30)24-20-6-5-19(27)15-22(20)33-29-24/h4-7,14-15,17,28H,2-3,8-13H2,1H3
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1n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018021
PNG
(CHEMBL3289709)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H26N4O2S2/c1-17-6-4-7-18(16-17)29(26,27)22-10-5-11-24-12-14-25(15-13-24)21-19-8-2-3-9-20(19)28-23-21/h2-4,6-9,16,22H,5,10-15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018208
PNG
(CHEMBL3289995)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C21H22ClF2N3O3S/c22-18-13-16(3-5-19(18)24)31(28,29)25-8-1-9-27-10-6-14(7-11-27)21-17-4-2-15(23)12-20(17)30-26-21/h2-5,12-14,25H,1,6-11H2
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1.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018033
PNG
(CHEMBL3289954)
Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28N4O2S2/c30-33(31,22-12-11-20-7-1-2-8-21(20)19-22)26-13-5-6-14-28-15-17-29(18-16-28)25-23-9-3-4-10-24(23)32-27-25/h1-4,7-12,19,26H,5-6,13-18H2
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1.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018244
PNG
(CHEMBL3290009)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3S2/c24-17-6-7-18-20(14-17)30-26-23(18)16-8-12-27(13-9-16)11-3-10-25-32(28,29)22-15-31-21-5-2-1-4-19(21)22/h1-2,4-7,14-16,25H,3,8-13H2
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1.60n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018241
PNG
(CHEMBL3290006)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H28FN3O3S/c27-22-8-10-24-25(18-22)33-29-26(24)20-11-15-30(16-12-20)14-4-3-13-28-34(31,32)23-9-7-19-5-1-2-6-21(19)17-23/h1-2,5-10,17-18,20,28H,3-4,11-16H2
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1.70n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018224
PNG
(CHEMBL3290002)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C25H26FN3O3S/c26-20-9-10-22-23(17-20)32-28-25(22)19-11-15-29(16-12-19)14-4-13-27-33(30,31)24-8-3-6-18-5-1-2-7-21(18)24/h1-3,5-10,17,19,27H,4,11-16H2
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1.70n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018239
PNG
(CHEMBL3290004)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H24FN3O3S/c25-20-6-8-22-23(16-20)31-27-24(22)18-9-12-28(13-10-18)14-11-26-32(29,30)21-7-5-17-3-1-2-4-19(17)15-21/h1-8,15-16,18,26H,9-14H2
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1.80n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018204
PNG
(CHEMBL3289992)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H28FN3O3S/c1-17-5-4-6-20(15-17)31(28,29)25-11-2-3-12-27-13-9-18(10-14-27)23-21-8-7-19(24)16-22(21)30-26-23/h4-8,15-16,18,25H,2-3,9-14H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018206
PNG
(CHEMBL3289993)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C21H22Cl2FN3O3S/c22-18-5-3-16(13-19(18)23)31(28,29)25-8-1-9-27-10-6-14(7-11-27)21-17-4-2-15(24)12-20(17)30-26-21/h2-5,12-14,25H,1,6-11H2
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2.20n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018028
PNG
(CHEMBL3289949)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H25F3N4O3S2/c23-22(24,25)32-17-7-9-18(10-8-17)34(30,31)26-11-3-4-12-28-13-15-29(16-14-28)21-19-5-1-2-6-20(19)33-27-21/h1-2,5-10,26H,3-4,11-16H2
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2.20n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018249
PNG
(CHEMBL3290015)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C24H25F2N3O3S2/c1-15-20-13-17(25)4-6-22(20)33-24(15)34(30,31)27-9-2-10-29-11-7-16(8-12-29)23-19-5-3-18(26)14-21(19)32-28-23/h3-6,13-14,16,27H,2,7-12H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018247
PNG
(CHEMBL3290013)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cc3ccc(Cl)cc3s2)CC1
Show InChI InChI=1S/C23H23ClFN3O3S2/c24-17-3-2-16-12-22(32-21(16)13-17)33(29,30)26-8-1-9-28-10-6-15(7-11-28)23-19-5-4-18(25)14-20(19)31-27-23/h2-5,12-15,26H,1,6-11H2
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2.60n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018240
PNG
(CHEMBL3290005)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H26FN3O3S/c26-21-7-9-23-24(17-21)32-28-25(23)19-10-14-29(15-11-19)13-3-12-27-33(30,31)22-8-6-18-4-1-2-5-20(18)16-22/h1-2,4-9,16-17,19,27H,3,10-15H2
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2.80n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018242
PNG
(CHEMBL3290007)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
Show InChI InChI=1S/C25H25ClFN3O3S/c26-20-4-2-19-15-22(6-3-18(19)14-20)34(31,32)28-10-1-11-30-12-8-17(9-13-30)25-23-7-5-21(27)16-24(23)33-29-25/h2-7,14-17,28H,1,8-13H2
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3.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018202
PNG
(CHEMBL3289990)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C21H24FN3O3S/c1-15-3-2-4-18(13-15)29(26,27)23-9-12-25-10-7-16(8-11-25)21-19-6-5-17(22)14-20(19)28-24-21/h2-6,13-14,16,23H,7-12H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018215
PNG
(CHEMBL3289998)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H25F4N3O4S/c24-17-3-8-20-21(15-17)34-29-22(20)16-9-13-30(14-10-16)12-2-1-11-28-35(31,32)19-6-4-18(5-7-19)33-23(25,26)27/h3-8,15-16,28H,1-2,9-14H2
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3.60n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018203
PNG
(CHEMBL3289991)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C22H26FN3O3S/c1-16-4-2-5-19(14-16)30(27,28)24-10-3-11-26-12-8-17(9-13-26)22-20-7-6-18(23)15-21(20)29-25-22/h2,4-7,14-15,17,24H,3,8-13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018210
PNG
(CHEMBL3289997)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C22H23F4N3O4S/c23-16-2-7-19-20(14-16)33-28-21(19)15-8-12-29(13-9-15)11-1-10-27-34(30,31)18-5-3-17(4-6-18)32-22(24,25)26/h2-7,14-15,27H,1,8-13H2
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3.80n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018207
PNG
(CHEMBL3289994)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H24Cl2FN3O3S/c23-19-6-4-17(14-20(19)24)32(29,30)26-9-1-2-10-28-11-7-15(8-12-28)22-18-5-3-16(25)13-21(18)31-27-22/h3-6,13-15,26H,1-2,7-12H2
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4.90n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018221
PNG
(CHEMBL3289999)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccs2)CC1
Show InChI InChI=1S/C19H22FN3O3S2/c20-15-4-5-16-17(13-15)26-22-19(16)14-6-10-23(11-7-14)9-2-8-21-28(24,25)18-3-1-12-27-18/h1,3-5,12-14,21H,2,6-11H2
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5.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018030
PNG
(CHEMBL3289951)
Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C19H24N4O2S3/c24-28(25,18-8-5-15-26-18)20-9-3-4-10-22-11-13-23(14-12-22)19-16-6-1-2-7-17(16)27-21-19/h1-2,5-8,15,20H,3-4,9-14H2
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5.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018245
PNG
(CHEMBL3290010)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2csc3ccccc23)CC1
Show InChI InChI=1S/C24H26FN3O3S2/c25-18-7-8-19-21(15-18)31-27-24(19)17-9-13-28(14-10-17)12-4-3-11-26-33(29,30)23-16-32-22-6-2-1-5-20(22)23/h1-2,5-8,15-17,26H,3-4,9-14H2
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5.70n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018037
PNG
(CHEMBL3289958)
Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C23H26N4O2S3/c28-32(29,22-17-18-7-1-3-9-20(18)30-22)24-11-5-6-12-26-13-15-27(16-14-26)23-19-8-2-4-10-21(19)31-25-23/h1-4,7-10,17,24H,5-6,11-16H2
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6n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018041
PNG
(CHEMBL3289962)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H27FN4O2S3/c1-17-20-16-18(25)8-9-21(20)32-24(17)34(30,31)26-10-4-5-11-28-12-14-29(15-13-28)23-19-6-2-3-7-22(19)33-27-23/h2-3,6-9,16,26H,4-5,10-15H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018039
PNG
(CHEMBL3289960)
Show SMILES Clc1ccc2cc(sc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C23H25ClN4O2S3/c24-18-8-7-17-15-22(31-21(17)16-18)33(29,30)25-9-3-4-10-27-11-13-28(14-12-27)23-19-5-1-2-6-20(19)32-26-23/h1-2,5-8,15-16,25H,3-4,9-14H2
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6.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018252
PNG
(CHEMBL3290018)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cnc3ccccn23)CC1
Show InChI InChI=1S/C22H24FN5O3S/c23-17-5-6-18-19(14-17)31-26-22(18)16-7-12-27(13-8-16)10-3-9-25-32(29,30)21-15-24-20-4-1-2-11-28(20)21/h1-2,4-6,11,14-16,25H,3,7-10,12-13H2
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6.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018198
PNG
(CHEMBL3289986)
Show SMILES Cc1c(sc2ccc(F)cc12)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C24H27FN4O3S2/c1-17-20-16-18(25)8-9-22(20)33-24(17)34(30,31)26-10-4-5-11-28-12-14-29(15-13-28)23-19-6-2-3-7-21(19)32-27-23/h2-3,6-9,16,26H,4-5,10-15H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018045
PNG
(CHEMBL3289966)
Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2scnc12
Show InChI InChI=1S/C22H25N5O2S3/c28-32(29,20-9-5-8-19-21(20)23-16-30-19)24-10-3-4-11-26-12-14-27(15-13-26)22-17-6-1-2-7-18(17)31-25-22/h1-2,5-9,16,24H,3-4,10-15H2
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7.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018192
PNG
(CHEMBL3289980)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C25H27ClN4O3S/c26-21-9-7-20-18-22(10-8-19(20)17-21)34(31,32)27-11-3-4-12-29-13-15-30(16-14-29)25-23-5-1-2-6-24(23)33-28-25/h1-2,5-10,17-18,27H,3-4,11-16H2
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7.70n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018043
PNG
(CHEMBL3289964)
Show SMILES O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cnc2ccccn12
Show InChI InChI=1S/C22H26N6O2S2/c29-32(30,21-17-23-20-9-3-5-12-28(20)21)24-10-4-6-11-26-13-15-27(16-14-26)22-18-7-1-2-8-19(18)31-25-22/h1-3,5,7-9,12,17,24H,4,6,10-11,13-16H2
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8.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018035
PNG
(CHEMBL3289956)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C25H27ClN4O2S2/c26-21-9-7-20-18-22(10-8-19(20)17-21)34(31,32)27-11-3-4-12-29-13-15-30(16-14-29)25-23-5-1-2-6-24(23)33-28-25/h1-2,5-10,17-18,27H,3-4,11-16H2
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8.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018044
PNG
(CHEMBL3289965)
Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2scnc12
Show InChI InChI=1S/C21H23N5O2S3/c27-31(28,19-8-3-7-18-20(19)22-15-29-18)23-9-4-10-25-11-13-26(14-12-25)21-16-5-1-2-6-17(16)30-24-21/h1-3,5-8,15,23H,4,9-14H2
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8.40n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018255
PNG
(CHEMBL3290021)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cccc3scnc23)CC1
Show InChI InChI=1S/C23H25FN4O3S2/c24-17-6-7-18-19(14-17)31-27-22(18)16-8-12-28(13-9-16)11-2-1-10-26-33(29,30)21-5-3-4-20-23(21)25-15-32-20/h3-7,14-16,26H,1-2,8-13H2
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8.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018020
PNG
(CHEMBL3289708)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C20H24N4O2S2/c1-16-5-4-6-17(15-16)28(25,26)21-9-10-23-11-13-24(14-12-23)20-18-7-2-3-8-19(18)27-22-20/h2-8,15,21H,9-14H2,1H3
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8.80n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018209
PNG
(CHEMBL3289996)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1
Show InChI InChI=1S/C22H24ClF2N3O3S/c23-19-14-17(4-6-20(19)25)32(29,30)26-9-1-2-10-28-11-7-15(8-12-28)22-18-5-3-16(24)13-21(18)31-27-22/h3-6,13-15,26H,1-2,7-12H2
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9n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018254
PNG
(CHEMBL3290020)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCNS(=O)(=O)c2cccc3scnc23)CC1
Show InChI InChI=1S/C22H23FN4O3S2/c23-16-5-6-17-18(13-16)30-26-21(17)15-7-11-27(12-8-15)10-2-9-25-32(28,29)20-4-1-3-19-22(20)24-14-31-19/h1,3-6,13-15,25H,2,7-12H2
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9.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018029
PNG
(CHEMBL3289950)
Show SMILES O=S(=O)(NCCCN1CCN(CC1)c1nsc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H22N4O2S3/c23-27(24,17-7-3-14-25-17)19-8-4-9-21-10-12-22(13-11-21)18-15-5-1-2-6-16(15)26-20-18/h1-3,5-7,14,19H,4,8-13H2
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9.10n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50018253
PNG
(CHEMBL3290019)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cnc3ccccn23)CC1
Show InChI InChI=1S/C23H26FN5O3S/c24-18-6-7-19-20(15-18)32-27-23(19)17-8-13-28(14-9-17)11-4-2-10-26-33(30,31)22-16-25-21-5-1-3-12-29(21)22/h1,3,5-7,12,15-17,26H,2,4,8-11,13-14H2
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9.5n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation countin...


J Med Chem 57: 4543-57 (2014)


Article DOI: 10.1021/jm401895u
BindingDB Entry DOI: 10.7270/Q2N29ZHX
More data for this
Ligand-Target Pair
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