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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50031516   
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 2C


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314618
PNG
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)
Show SMILES Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314624
PNG
((S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli...)
Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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12.8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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13.7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314625
PNG
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)
Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314615
PNG
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)
Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314617
PNG
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r|
Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314619
PNG
((2S,6R)-benzyl 2,6-dimethylpiperazine-1-carboxylat...)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C14H20N2O2/c1-11-8-15-9-12(2)16(11)14(17)18-10-13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12+
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83n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314620
PNG
((S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)/t11-/m0/s1
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324n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314622
PNG
(3-(aminomethyl)-N-(4-(trifluoromethoxy)benzyl)benz...)
Show SMILES NCc1cccc(c1)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)23-14-6-4-11(5-7-14)10-21-15(22)13-3-1-2-12(8-13)9-20/h1-8H,9-10,20H2,(H,21,22)
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585n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314621
PNG
(CHEMBL1090400 | N-(4-(trifluoromethoxy)benzyl)pyrr...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2CCNC2)cc1
Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-3-1-9(2-4-11)7-18-12(19)10-5-6-17-8-10/h1-4,10,17H,5-8H2,(H,18,19)
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643n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.67E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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1.72E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314625
PNG
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)
Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314618
PNG
(CHEMBL1090397 | N-((4'-chloro-3-fluorobiphenyl-4-y...)
Show SMILES Fc1cc(ccc1CNC(=O)N1CCNCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClFN3O/c19-16-5-3-13(4-6-16)14-1-2-15(17(20)11-14)12-22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2,(H,22,24)
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3.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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3.94E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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4.12E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314617
PNG
((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...)
Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r|
Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314620
PNG
((S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)8-18-12(19)11-2-1-7-17-11/h3-6,11,17H,1-2,7-8H2,(H,18,19)/t11-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314615
PNG
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)
Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1
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n/an/an/an/a 153n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 4.03E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314615
PNG
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)
Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314623
PNG
((S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid...)
Show SMILES O=C(NCc1ccc(cc1)C1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H26N2O/c21-18(17-7-4-12-19-17)20-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h8-11,15,17,19H,1-7,12-13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 88n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314624
PNG
((S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli...)
Show SMILES Clc1cc(Cl)cc(c1)-c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C18H18Cl2N2O/c19-15-8-14(9-16(20)10-15)13-5-3-12(4-6-13)11-22-18(23)17-2-1-7-21-17/h3-6,8-10,17,21H,1-2,7,11H2,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 183n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314625
PNG
((S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car...)
Show SMILES Fc1cccc(Oc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)c1 |r|
Show InChI InChI=1S/C18H19FN2O2/c19-14-3-1-4-16(11-14)23-15-8-6-13(7-9-15)12-21-18(22)17-5-2-10-20-17/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314626
PNG
((S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami...)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-19(18-7-4-12-20-18)21-13-15-8-10-17(11-9-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20H,4,7,12-14H2,(H,21,22)/t18-/m0/s1
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n/an/an/an/a 73n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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n/an/an/an/a 4.97n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314615
PNG
((S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo...)
Show SMILES C[C@H]1CC[C@H](CC1)Oc1c(F)cc(CNC(=O)[C@@H]2CCCN2)cc1F |r,wU:17.17,wD:4.7,1.0,(-10.94,-38.56,;-9.61,-39.33,;-9.61,-40.88,;-8.28,-41.66,;-6.95,-40.88,;-6.94,-39.34,;-8.27,-38.57,;-5.62,-41.65,;-4.28,-40.88,;-4.28,-39.34,;-5.61,-38.57,;-2.95,-38.57,;-1.62,-39.33,;-.29,-38.56,;1.05,-39.32,;2.38,-38.55,;2.38,-37.01,;3.72,-39.31,;3.68,-40.85,;5.13,-41.37,;6.07,-40.15,;5.2,-38.88,;-1.61,-40.88,;-2.95,-41.66,;-2.95,-43.2,)|
Show InChI InChI=1S/C19H26F2N2O2/c1-12-4-6-14(7-5-12)25-18-15(20)9-13(10-16(18)21)11-23-19(24)17-3-2-8-22-17/h9-10,12,14,17,22H,2-8,11H2,1H3,(H,23,24)/t12-,14+,17-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
Reactome pathway
KEGG

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 130n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair