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PubMed code 16750364

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 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))
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))
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))
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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PubMed
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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PubMed
>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))
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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PubMed
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))
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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PubMed
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 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
* indicates data uncertainty>20%