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Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'porter' and Initial = 'rh'   
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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001524
PNG
(CHEMBL24474)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCNCC1
Show InChI InChI=1S/C15H17BrN4O2S/c16-14-9-13(10-15(19-14)20-7-5-18-6-8-20)23(21,22)12-3-1-11(17)2-4-12/h1-4,9-10,18H,5-8,17H2
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0.110n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378486
PNG
(CHEMBL566181)
Show SMILES CCOc1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378517
PNG
(CHEMBL567243)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378525
PNG
(CHEMBL571466)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC)ccc-21
Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378529
PNG
(CHEMBL566189)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378518
PNG
(CHEMBL565560)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378519
PNG
(CHEMBL566188)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(C)ccc-21
Show InChI InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378469
PNG
(CHEMBL576426)
Show SMILES CCc1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378504
PNG
(CHEMBL565345)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(O)ccc-21
Show InChI InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378501
PNG
(CHEMBL567019)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378527
PNG
(CHEMBL569010)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378520
PNG
(CHEMBL571465)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C1CC1
Show InChI InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378526
PNG
(CHEMBL569273)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc-21
Show InChI InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378498
PNG
(CHEMBL577290)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1ccccc-21
Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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0.890n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(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
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0.890n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85532
PNG
(5,6-difluoroindol-methylethylamine)
Show SMILES CC(C)(N)n1ccc2cc(F)c(F)cc12
Show InChI InChI=1S/C11H12F2N2/c1-11(2,14)15-4-3-7-5-8(12)9(13)6-10(7)15/h3-6H,14H2,1-2H3
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0.980n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378490
PNG
(CHEMBL565510)
Show SMILES O=C(C1CC1)c1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50228649
PNG
(4-(2-Bromo-6-pyrrolidin-1-yl-pyridine-4-sulfonyl)-...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1cc(Br)nc(c1)N1CCCC1
Show InChI InChI=1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181073
PNG
(2-(3-chloro-benzyloxy)-6-methyl-isonicotinonitrile...)
Show SMILES Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N
Show InChI InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3
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1n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM82472
PNG
(BW-723C86 | CAS_5311036 | NSC_5311036)
Show SMILES CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Show InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
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1.07n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378500
PNG
(CHEMBL577411)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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1.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378503
PNG
(CHEMBL565344)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(OC)ccc-21
Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-20-9-18-19-15(20)11-6-10(23-2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378487
PNG
(CHEMBL578395)
Show SMILES CCOc1ncn-2c1Cn1nccc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H13ClN4O/c1-2-21-15-14-8-20-13(5-6-18-20)11-7-10(16)3-4-12(11)19(14)9-17-15/h3-7,9H,2,8H2,1H3
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM28582
PNG
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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1.41n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
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 2A


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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1.51n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378497
PNG
(CHEMBL568539)
Show SMILES Cc1ncn-2c1Cn1cc(CN3CCCC3=O)nc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C19H18BrN5O/c1-12-17-10-24-9-14(8-23-6-2-3-18(23)26)22-19(24)15-7-13(20)4-5-16(15)25(17)11-21-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3
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1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378499
PNG
(CHEMBL565293)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(F)ccc-21
Show InChI InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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1.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378489
PNG
(CHEMBL584095)
Show SMILES Clc1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C13H9ClN4/c14-13-12-7-18-11(5-6-16-18)9-3-1-2-4-10(9)17(12)8-15-13/h1-6,8H,7H2
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM81781
PNG
(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
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2n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
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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2.09n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378502
PNG
(CHEMBL565557)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(C)ccc-21
Show InChI InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-20-9-18-19-15(20)11-6-10(2)4-5-12(11)21(13)8-17-14/h4-6,8-9H,3,7H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378505
PNG
(CHEMBL569008)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-20-19-10-21(16)8-14-15(17(23)24-4-2)18-9-22(13)14/h1,5-7,9-10H,4,8H2,2H3
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2.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001523
PNG
(CHEMBL23575)
Show SMILES CNc1cc(cc(Br)n1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)
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2.30n/an/an/an/an/an/an/an/a



F. Hoffmann-LaRoche

Curated by ChEMBL


Assay Description
Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand


J Med Chem 46: 1273-6 (2003)

Checked by Author
Article DOI: 10.1021/jm021085c
BindingDB Entry DOI: 10.7270/Q20G3MCZ
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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.88n/an/an/an/an/an/an/an/a



Cerebrus Ltd

Curated by PDSP Ki Database




Br J Pharmacol 128: 13-20 (1999)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2GH9GH2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378488
PNG
(CHEMBL577296)
Show SMILES Cc1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C14H12N4/c1-10-14-8-18-13(6-7-16-18)11-4-2-3-5-12(11)17(14)9-15-10/h2-7,9H,8H2,1H3
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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MMDB

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3.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378521
PNG
(CHEMBL576711)
Show SMILES CCOC(=O)c1ncn-2c1Cc1cncnc1-c1ccccc-21
Show InChI InChI=1S/C17H14N4O2/c1-2-23-17(22)16-14-7-11-8-18-9-19-15(11)12-5-3-4-6-13(12)21(14)10-20-16/h3-6,8-10H,2,7H2,1H3
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3.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
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
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50378470
PNG
(CHEMBL577727)
Show SMILES CCOC(=O)c1ncn-2c1Cc1cnc(C)nc1-c1ccccc-21
Show InChI InChI=1S/C18H16N4O2/c1-3-24-18(23)17-15-8-12-9-19-11(2)21-16(12)13-6-4-5-7-14(13)22(15)10-20-17/h4-7,9-10H,3,8H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
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