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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'hodnick' and Initial = 'wf'   
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))
BDBM50188136
PNG
((3aS,8R,8aS)-6,7-dichloro-8-methyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C12H13Cl2N/c1-6-8-4-15-5-9(8)7-2-3-10(13)12(14)11(6)7/h2-3,6,8-9,15H,4-5H2,1H3/t6-,8+,9-/m1/s1
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5n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188139
PNG
((3aS,8R,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,3a,...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
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14n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188144
PNG
((3aS,8R,8aS)-6-bromo-5-methoxy-8-methyl-1,2,3,3a,8...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Br
Show InChI InChI=1S/C13H16BrNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
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27n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188140
PNG
((3aS,8R,8aS)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexah...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(O)c(Cl)cc12
Show InChI InChI=1S/C12H14ClNO/c1-6-7-2-11(13)12(15)3-8(7)10-5-14-4-9(6)10/h2-3,6,9-10,14-15H,4-5H2,1H3/t6-,9-,10+/m0/s1
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27n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188143
PNG
((+/-)-(3aS,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6?,9-,10+/m0/s1
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103n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188134
PNG
((+/-)-(3aS,8aS)-6-chloro-5,8-dimethyl-1,2,3,3a,8,8...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(C)c(Cl)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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107n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188127
PNG
((3aS,8R,8aS)-5-chloro-6,8-dimethyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(C)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8-,11-,12+/m0/s1
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134n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188129
PNG
((3aS,8R,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6-,9-,10+/m0/s1
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155n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188137
PNG
((3aS,8R,8aS)-6-chloro-5,8-dimethyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2cc(C)c(Cl)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8-,11-,12+/m0/s1
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155n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188142
PNG
((+/-)-(3aS,8aS)-5-bromo-6,8-dimethyl-1,2,3,3a,8,8a...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(Br)c(C)cc12
Show InChI InChI=1S/C13H16BrN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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207n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188146
PNG
((3aS,8R,8aS)-6-chloro-5-ethoxy-8-methyl-1,2,3,3a,8...)
Show SMILES CCOc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
Show InChI InChI=1S/C14H18ClNO/c1-3-17-14-5-10-9(4-13(14)15)8(2)11-6-16-7-12(10)11/h4-5,8,11-12,16H,3,6-7H2,1-2H3/t8-,11-,12+/m0/s1
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231n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188130
PNG
((+/-)-(3aS,8aS)-6-bromo-5,8-dimethyl-1,2,3,3a,8,8a...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(C)c(Br)cc12
Show InChI InChI=1S/C13H16BrN/c1-7-3-10-9(4-13(7)14)8(2)11-5-15-6-12(10)11/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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463n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188128
PNG
((+/-)-(3aS,8aS)-5-chloro-6,8-dimethyl-1,2,3,3a,8,8...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(Cl)c(C)cc12
Show InChI InChI=1S/C13H16ClN/c1-7-3-9-8(2)11-5-15-6-12(11)10(9)4-13(7)14/h3-4,8,11-12,15H,5-6H2,1-2H3/t8?,11-,12+/m0/s1
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465n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188135
PNG
((+/-)-(3aS,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3C(C)c2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7?,10-,11+/m0/s1
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530n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188125
PNG
((3aS,8R,8aS)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexah...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)cc12
Show InChI InChI=1S/C12H14ClN/c1-7-10-4-8(13)2-3-9(10)12-6-14-5-11(7)12/h2-4,7,11-12,14H,5-6H2,1H3/t7-,11-,12+/m0/s1
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911n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188132
PNG
((3aS,8S,8aS)-5,6-dichloro-8-methyl-1,2,3,3a,8,8a-h...)
Show SMILES C[C@H]1[C@@H]2CNC[C@@H]2c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C12H13Cl2N/c1-6-7-2-11(13)12(14)3-8(7)10-5-15-4-9(6)10/h2-3,6,9-10,15H,4-5H2,1H3/t6-,9+,10-/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188147
PNG
((+/-)-(3aS,8aS)-6,8-dimethyl-1,2,3,3a,8,8a-hexahyd...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2ccc(C)cc12
Show InChI InChI=1S/C13H17N/c1-8-3-4-10-11(5-8)9(2)12-6-14-7-13(10)12/h3-5,9,12-14H,6-7H2,1-2H3/t9?,12-,13+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188141
PNG
((+/-)-(3aS,8aS)-4,8-dimethyl-1,2,3,3a,8,8a-hexahyd...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2c1cccc2C
Show InChI InChI=1S/C13H17N/c1-8-4-3-5-10-9(2)11-6-14-7-12(11)13(8)10/h3-5,9,11-12,14H,6-7H2,1-2H3/t9?,11-,12-/m0/s1
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1.85E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188131
PNG
((+/-)-(3aS,8aS)-5-fluoro-8-methyl-1,2,3,3a,8,8a-he...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(F)ccc12
Show InChI InChI=1S/C12H14FN/c1-7-9-3-2-8(13)4-10(9)12-6-14-5-11(7)12/h2-4,7,11-12,14H,5-6H2,1H3/t7?,11-,12+/m0/s1
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3.01E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188138
PNG
((+/-)-(3aS,8aS)-5,8-dimethyl-1,2,3,3a,8,8a-hexahyd...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cc(C)ccc12
Show InChI InChI=1S/C13H17N/c1-8-3-4-10-9(2)12-6-14-7-13(12)11(10)5-8/h3-5,9,12-14H,6-7H2,1-2H3/t9?,12-,13+/m0/s1
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3.31E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188133
PNG
((+/-)-(3aS,8aS)-7,8-dimethyl-1,2,3,3a,8,8a-hexahyd...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2cccc(C)c12
Show InChI InChI=1S/C13H17N/c1-8-4-3-5-10-12-7-14-6-11(12)9(2)13(8)10/h3-5,9,11-12,14H,6-7H2,1-2H3/t9?,11-,12+/m0/s1
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3.38E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188145
PNG
((+/-)-(3aS,8aS)-6-fluoro-8-methyl-1,2,3,3a,8,8a-he...)
Show SMILES CC1[C@@H]2CNC[C@@H]2c2ccc(F)cc12
Show InChI InChI=1S/C12H14FN/c1-7-10-4-8(13)2-3-9(10)12-6-14-5-11(7)12/h2-4,7,11-12,14H,5-6H2,1H3/t7?,11-,12+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184587
PNG
((2R,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimi...)
Show SMILES C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N4/c1-7-4-8-5-16-6-9(8)19(7)11-17-3-2-10(18-11)12(13,14)15/h2-3,7-9,16H,4-6H2,1H3/t7-,8+,9-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184585
PNG
((3aS,6aS)-1-(3-chlorophenyl)-octahydropyrrolo[3,4-...)
Show SMILES Clc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H15ClN2/c13-10-2-1-3-11(6-10)15-5-4-9-7-14-8-12(9)15/h1-3,6,9,12,14H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 503n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184597
PNG
((3aS,6aS)-5-(4-(2,5-dichlorophenyl)pyrimidin-2-yl)...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
Show InChI InChI=1S/C16H16Cl2N4/c17-11-1-2-13(18)12(7-11)14-4-6-20-16(21-14)22-8-10-3-5-19-15(10)9-22/h1-2,4,6-7,10,15,19H,3,5,8-9H2/t10-,15+/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184596
PNG
((2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimi...)
Show SMILES C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N4/c1-7-4-8-5-16-6-9(8)19(7)11-17-3-2-10(18-11)12(13,14)15/h2-3,7-9,16H,4-6H2,1H3/t7-,8-,9+/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184596
PNG
((2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimi...)
Show SMILES C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N4/c1-7-4-8-5-16-6-9(8)19(7)11-17-3-2-10(18-11)12(13,14)15/h2-3,7-9,16H,4-6H2,1H3/t7-,8-,9+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184593
PNG
((3aS,6aS)-5-(4-(2,5-difluorophenyl)pyrimidin-2-yl)...)
Show SMILES Fc1ccc(F)c(c1)-c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
Show InChI InChI=1S/C16H16F2N4/c17-11-1-2-13(18)12(7-11)14-4-6-20-16(21-14)22-8-10-3-5-19-15(10)9-22/h1-2,4,6-7,10,15,19H,3,5,8-9H2/t10-,15+/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50184590
PNG
((3aS,6aS)-1-(3-fluorophenyl)-octahydropyrrolo[3,4-...)
Show SMILES Fc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H15FN2/c13-10-2-1-3-11(6-10)15-5-4-9-7-14-8-12(9)15/h1-3,6,9,12,14H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 108n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2B receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188125
PNG
((3aS,8R,8aS)-6-chloro-8-methyl-1,2,3,3a,8,8a-hexah...)
Show SMILES C[C@@H]1[C@@H]2CNC[C@@H]2c2ccc(Cl)cc12
Show InChI InChI=1S/C12H14ClN/c1-7-10-4-8(13)2-3-9(10)12-6-14-5-11(7)12/h2-4,7,11-12,14H,5-6H2,1H3/t7-,11-,12+/m0/s1
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n/an/an/an/a 54n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C assessed as intracellular calcium concentration


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188126
PNG
((3aS,8aS)-6-chloro-1,2,3,3a,8,8a-hexahydro-indeno[...)
Show SMILES Clc1ccc2[C@H]3CNC[C@H]3Cc2c1
Show InChI InChI=1S/C11H12ClN/c12-9-1-2-10-7(4-9)3-8-5-13-6-11(8)10/h1-2,4,8,11,13H,3,5-6H2/t8-,11+/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C assessed as intracellular calcium concentration


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50188139
PNG
((3aS,8R,8aS)-6-chloro-5-methoxy-8-methyl-1,2,3,3a,...)
Show SMILES COc1cc2[C@H]3CNC[C@H]3[C@@H](C)c2cc1Cl
Show InChI InChI=1S/C13H16ClNO/c1-7-8-3-12(14)13(16-2)4-9(8)11-6-15-5-10(7)11/h3-4,7,10-11,15H,5-6H2,1-2H3/t7-,10-,11+/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C assessed as intracellular calcium concentration


Bioorg Med Chem Lett 16: 4130-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.070
BindingDB Entry DOI: 10.7270/Q23T9GTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184592
PNG
((3aS,6aS)-1-(3-(trifluoromethyl)phenyl)-octahydrop...)
Show SMILES FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C13H15F3N2/c14-13(15,16)10-2-1-3-11(6-10)18-5-4-9-7-17-8-12(9)18/h1-3,6,9,12,17H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 168n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184584
PNG
((3aS,6aS)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-oc...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H13F3N4/c12-11(13,14)9-1-3-16-10(17-9)18-4-2-7-5-15-6-8(7)18/h1,3,7-8,15H,2,4-6H2/t7-,8+/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184584
PNG
((3aS,6aS)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-oc...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C11H13F3N4/c12-11(13,14)9-1-3-16-10(17-9)18-4-2-7-5-15-6-8(7)18/h1,3,7-8,15H,2,4-6H2/t7-,8+/m0/s1
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n/an/an/an/a 116n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50184596
PNG
((2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimi...)
Show SMILES C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N4/c1-7-4-8-5-16-6-9(8)19(7)11-17-3-2-10(18-11)12(13,14)15/h2-3,7-9,16H,4-6H2,1H3/t7-,8-,9+/m0/s1
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n/an/an/an/a 151n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2B receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184594
PNG
((3aS,6aS)-5-(4-(trifluoromethyl)pyrimidin-2-yl)-oc...)
Show SMILES FC(F)(F)c1ccnc(n1)N1C[C@@H]2CCN[C@@H]2C1
Show InChI InChI=1S/C11H13F3N4/c12-11(13,14)9-2-4-16-10(17-9)18-5-7-1-3-15-8(7)6-18/h2,4,7-8,15H,1,3,5-6H2/t7-,8+/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184595
PNG
((3aR,6aR)-1-(4-(trifluoromethyl)pyrimidin-2-yl)-oc...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CC[C@@H]2CNC[C@H]12
Show InChI InChI=1S/C11H13F3N4/c12-11(13,14)9-1-3-16-10(17-9)18-4-2-7-5-15-6-8(7)18/h1,3,7-8,15H,2,4-6H2/t7-,8+/m1/s1
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n/an/an/an/a 519n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184585
PNG
((3aS,6aS)-1-(3-chlorophenyl)-octahydropyrrolo[3,4-...)
Show SMILES Clc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H15ClN2/c13-10-2-1-3-11(6-10)15-5-4-9-7-14-8-12(9)15/h1-3,6,9,12,14H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 416n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184592
PNG
((3aS,6aS)-1-(3-(trifluoromethyl)phenyl)-octahydrop...)
Show SMILES FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C13H15F3N2/c14-13(15,16)10-2-1-3-11(6-10)18-5-4-9-7-17-8-12(9)18/h1-3,6,9,12,17H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 103n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184590
PNG
((3aS,6aS)-1-(3-fluorophenyl)-octahydropyrrolo[3,4-...)
Show SMILES Fc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H15FN2/c13-10-2-1-3-11(6-10)15-5-4-9-7-14-8-12(9)15/h1-3,6,9,12,14H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50184587
PNG
((2R,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimi...)
Show SMILES C[C@@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N4/c1-7-4-8-5-16-6-9(8)19(7)11-17-3-2-10(18-11)12(13,14)15/h2-3,7-9,16H,4-6H2,1H3/t7-,8+,9-/m1/s1
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n/an/an/an/a 48n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2B receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184586
PNG
(CHEMBL208936 | rac-1-(4-(trifluoromethyl)pyrimidin...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CCC2CNCC12
Show InChI InChI=1S/C11H13F3N4/c12-11(13,14)9-1-3-16-10(17-9)18-4-2-7-5-15-6-8(7)18/h1,3,7-8,15H,2,4-6H2
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n/an/an/an/a 180n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50184592
PNG
((3aS,6aS)-1-(3-(trifluoromethyl)phenyl)-octahydrop...)
Show SMILES FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C13H15F3N2/c14-13(15,16)10-2-1-3-11(6-10)18-5-4-9-7-17-8-12(9)18/h1-3,6,9,12,17H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2B receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50184588
PNG
((3aS,4S,6aR)-4-(3-(trifluoromethyl)phenyl)-octahyd...)
Show SMILES FC(F)(F)c1cccc(c1)[C@H]1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C14H16F3N/c15-14(16,17)11-3-1-2-9(6-11)12-5-4-10-7-18-8-13(10)12/h1-3,6,10,12-13,18H,4-5,7-8H2/t10-,12+,13+/m0/s1
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n/an/an/an/a 187n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2B receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184588
PNG
((3aS,4S,6aR)-4-(3-(trifluoromethyl)phenyl)-octahyd...)
Show SMILES FC(F)(F)c1cccc(c1)[C@H]1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C14H16F3N/c15-14(16,17)11-3-1-2-9(6-11)12-5-4-10-7-18-8-13(10)12/h1-3,6,10,12-13,18H,4-5,7-8H2/t10-,12+,13+/m0/s1
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n/an/an/an/a 1.08E+3n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50184586
PNG
(CHEMBL208936 | rac-1-(4-(trifluoromethyl)pyrimidin...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CCC2CNCC12
Show InChI InChI=1S/C11H13F3N4/c12-11(13,14)9-1-3-16-10(17-9)18-4-2-7-5-15-6-8(7)18/h1,3,7-8,15H,2,4-6H2
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n/an/an/an/a 220n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184591
PNG
((3aS,6aS)-1-(4-(2,5-difluorophenyl)pyrimidin-2-yl)...)
Show SMILES Fc1ccc(F)c(c1)-c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C16H16F2N4/c17-11-1-2-13(18)12(7-11)14-3-5-20-16(21-14)22-6-4-10-8-19-9-15(10)22/h1-3,5,7,10,15,19H,4,6,8-9H2/t10-,15+/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184590
PNG
((3aS,6aS)-1-(3-fluorophenyl)-octahydropyrrolo[3,4-...)
Show SMILES Fc1cccc(c1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C12H15FN2/c13-10-2-1-3-11(6-10)15-5-4-9-7-14-8-12(9)15/h1-3,6,9,12,14H,4-5,7-8H2/t9-,12+/m0/s1
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n/an/an/an/a 319n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50184589
PNG
((3aS,6aS)-1-(4-(2,5-dichlorophenyl)pyrimidin-2-yl)...)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
Show InChI InChI=1S/C16H16Cl2N4/c17-11-1-2-13(18)12(7-11)14-3-5-20-16(21-14)22-6-4-10-8-19-9-15(10)22/h1-3,5,7,10,15,19H,4,6,8-9H2/t10-,15+/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells


Bioorg Med Chem Lett 16: 2891-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.007
BindingDB Entry DOI: 10.7270/Q26D5SM3
More data for this
Ligand-Target Pair
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