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Compile Data Set for Download or QSAR

Found 956 hits with Last Name = 'davidson' and Initial = 'je'   
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))
BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169263
PNG
((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169266
PNG
((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169267
PNG
((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)
Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169259
PNG
((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169261
PNG
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169268
PNG
((4R,10aR)-4,6-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12
Show InChI InChI=1S/C13H18N2/c1-9-4-3-5-11-6-12-8-14-7-10(2)15(12)13(9)11/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169258
PNG
((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazi...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C#N
Show InChI InChI=1S/C13H15N3/c1-9-7-15-8-12-5-11-3-2-10(6-14)4-13(11)16(9)12/h2-4,9,12,15H,5,7-8H2,1H3/t9-,12-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144835
PNG
((S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C12H18N2S/c1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169267
PNG
((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)
Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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6.90n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169266
PNG
((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144842
PNG
((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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9n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169269
PNG
((4R,10aS)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)
Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(C)c(C)c3N12
Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13+/m1/s1
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9.5n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50169267
PNG
((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)
Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1
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10n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50169266
PNG
((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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12n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144837
PNG
((S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-e...)
Show SMILES C[C@H](N)CN1CCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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13n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50169259
PNG
((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1
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13n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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14n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144845
PNG
((S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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14n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144836
PNG
((S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES CCSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C13H20N2S/c1-3-16-12-5-4-11-6-7-15(9-10(2)14)13(11)8-12/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144838
PNG
((S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(I)cc12
Show InChI InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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17n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50169261
PNG
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1
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19n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50169263
PNG
((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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21n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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21n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169263
PNG
((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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22n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144840
PNG
((S)-2-(6-Bromo-2,3-dihydro-indol-1-yl)-1-methyl-et...)
Show SMILES C[C@H](N)CN1CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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24n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144843
PNG
((S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indo...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
Show InChI InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
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26n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169265
PNG
(7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]i...)
Show SMILES Clc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C11H13ClN2/c12-9-2-1-8-5-10-7-13-3-4-14(10)11(8)6-9/h1-2,6,10,13H,3-5,7H2
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31n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144845
PNG
((S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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31n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169262
PNG
((S)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)
Show SMILES Cc1c2N3CCNC[C@@H]3Cc2ccc1Cl
Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m0/s1
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32n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169265
PNG
(7-Chloro-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]i...)
Show SMILES Clc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C11H13ClN2/c12-9-2-1-8-5-10-7-13-3-4-14(10)11(8)6-9/h1-2,6,10,13H,3-5,7H2
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32n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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32n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50169270
PNG
(((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyraz...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N12
Show InChI InChI=1S/C13H18N2O/c1-9-6-14-7-12-5-11-3-2-10(8-16)4-13(11)15(9)12/h2-4,9,12,14,16H,5-8H2,1H3/t9-,12-/m1/s1
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34n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169259
PNG
((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1
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34n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144838
PNG
((S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(I)cc12
Show InChI InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144844
PNG
((S)-1-Methyl-2-(2,3,8,9-tetrahydro-7H-pyrano[2,3-g...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCCc3c12
Show InChI InChI=1S/C14H20N2O/c1-10(15)9-16-7-6-11-4-5-13-12(14(11)16)3-2-8-17-13/h4-5,10H,2-3,6-9,15H2,1H3/t10-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169261
PNG
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1
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40n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169268
PNG
((4R,10aR)-4,6-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12
Show InChI InChI=1S/C13H18N2/c1-9-4-3-5-11-6-12-8-14-7-10(2)15(12)13(9)11/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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43n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144840
PNG
((S)-2-(6-Bromo-2,3-dihydro-indol-1-yl)-1-methyl-et...)
Show SMILES C[C@H](N)CN1CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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46n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144842
PNG
((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1
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49n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
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