Found 423 hits Enz. Inhib. hit(s) with all data for entry = 6049 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106438
(US8586579, 27)Show SMILES OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.86,.52,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H30N4O2S/c26-15-20(27)23-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-18-7-14-28-19(18)5-8-22-21/h5,7-8,14,16-17,26H,1-4,6,9-13,15H2,(H,23,27)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106438
(US8586579, 27)Show SMILES OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.86,.52,;7.32,.52,;6.55,-.82,;6.55,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.09,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H30N4O2S/c26-15-20(27)23-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-18-7-14-28-19(18)5-8-22-21/h5,7-8,14,16-17,26H,1-4,6,9-13,15H2,(H,23,27)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106429
(US8586579, 18)Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106435
(US8586579, 24)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)| Show InChI InChI=1S/C25H36N4O2S/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106426
(US8586579, 15)Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)| Show InChI InChI=1S/C21H30N4OS/c1-16(26)23-18-4-2-17(3-5-18)7-10-24-11-13-25(14-12-24)21-19-8-15-27-20(19)6-9-22-21/h6,8-9,15,17-18H,2-5,7,10-14H2,1H3,(H,23,26)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106430
(US8586579, 19)Show SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)| Show InChI InChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28)/t18-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106433
(US8586579, 22)Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.47,3.19,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106431
(US8586579, 20)Show SMILES CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)CC1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.55,-2.82,;10.01,-2.82,;9.24,-1.48,;10.01,-.15,;9.24,1.18,;7.7,1.18,;6.93,2.52,;5.39,2.52,;4.62,3.85,;4.62,1.18,;3.08,1.18,;2.31,-.15,;.77,-.15,;,1.18,;-1.54,1.18,;-2.31,-.15,;-3.85,-.15,;-4.62,-1.48,;-6.16,-1.48,;-6.93,-.15,;-6.16,1.18,;-4.62,1.18,;-8.47,-.15,;-9.24,1.18,;-10.78,1.18,;-11.55,-.15,;-10.78,-1.48,;-11.26,-2.95,;-10.01,-3.85,;-8.76,-2.95,;-9.24,-1.48,;.77,2.52,;2.31,2.52,;6.93,-.15,;7.7,-1.48,)| Show InChI InChI=1S/C28H42N4O2S/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,12-13,19,21-24H,2-9,11,14-18,20H2,1H3,(H,30,33)/t21-,22-,23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106429
(US8586579, 18)Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(9.63,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)24-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)22-19-9-16-28-20(19)7-10-23-22/h7,9-10,16-18H,2-6,8,11-15H2,1H3,(H,24,27)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106436
(US8586579, 25)Show SMILES CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.88,-2.45,;10.55,-3.22,;9.22,-2.45,;7.88,-3.22,;6.74,-2.19,;7.37,-.78,;6.6,.55,;5.06,.55,;4.29,-.78,;4.29,1.89,;2.75,1.89,;1.98,.55,;.44,.55,;-.33,1.89,;-1.87,1.89,;-2.64,.55,;-4.18,.55,;-4.95,-.78,;-6.49,-.78,;-7.26,.55,;-6.49,1.89,;-4.95,1.89,;-8.8,.55,;-9.57,1.89,;-11.11,1.89,;-11.88,.55,;-11.11,-.78,;-11.59,-2.25,;-10.34,-3.15,;-9.1,-2.25,;-9.57,-.78,;.44,3.22,;1.98,3.22,;8.9,-.94,)| Show InChI InChI=1S/C27H40N4O2S/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106434
(US8586579, 23)Show SMILES O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)| Show InChI InChI=1S/C26H38N4O2S/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)/t20-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106442
(US8586579, 31)Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(9.63,-.82,;8.09,-.82,;7.32,.52,;8.65,1.29,;5.98,-.25,;6.54,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5.01,.52,;-4.23,1.85,;-2.69,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H32N4O2S2/c1-2-29(26,27)23-18-5-3-17(4-6-18)8-11-24-12-14-25(15-13-24)21-19-9-16-28-20(19)7-10-22-21/h7,9-10,16-18,23H,2-6,8,11-15H2,1H3/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106441
(US8586579, 30)Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(8.57,-.82,;7.8,.52,;9.14,1.29,;6.47,-.25,;7.03,1.85,;5.49,1.85,;4.72,.52,;3.18,.52,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,-.82,;-3.75,-.82,;-4.52,.52,;-3.75,1.85,;-2.21,1.85,;-6.06,.52,;-6.83,1.85,;-8.37,1.85,;-9.14,.52,;-8.37,-.82,;-8.84,-2.28,;-7.6,-3.19,;-6.35,-2.28,;-6.83,-.82,;3.18,3.19,;4.72,3.19,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-4-2-16(3-5-17)7-10-23-11-13-24(14-12-23)20-18-8-15-27-19(18)6-9-21-20/h6,8-9,15-17,22H,2-5,7,10-14H2,1H3/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106422
(US8586579, 11)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)| Show InChI InChI=1S/C25H36N4O3/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106431
(US8586579, 20)Show SMILES CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)CC1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.55,-2.82,;10.01,-2.82,;9.24,-1.48,;10.01,-.15,;9.24,1.18,;7.7,1.18,;6.93,2.52,;5.39,2.52,;4.62,3.85,;4.62,1.18,;3.08,1.18,;2.31,-.15,;.77,-.15,;,1.18,;-1.54,1.18,;-2.31,-.15,;-3.85,-.15,;-4.62,-1.48,;-6.16,-1.48,;-6.93,-.15,;-6.16,1.18,;-4.62,1.18,;-8.47,-.15,;-9.24,1.18,;-10.78,1.18,;-11.55,-.15,;-10.78,-1.48,;-11.26,-2.95,;-10.01,-3.85,;-8.76,-2.95,;-9.24,-1.48,;.77,2.52,;2.31,2.52,;6.93,-.15,;7.7,-1.48,)| Show InChI InChI=1S/C28H42N4O2S/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,12-13,19,21-24H,2-9,11,14-18,20H2,1H3,(H,30,33)/t21-,22-,23-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106437
(US8586579, 26)Show SMILES CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,2.1,wD:13.13,5.5,(11.88,-2.45,;10.55,-3.22,;9.22,-2.45,;7.88,-3.22,;6.74,-2.19,;7.37,-.78,;6.6,.55,;5.06,.55,;4.29,-.78,;4.29,1.89,;2.75,1.89,;1.98,.55,;.44,.55,;-.33,1.89,;-1.87,1.89,;-2.64,.55,;-4.18,.55,;-4.95,-.78,;-6.49,-.78,;-7.26,.55,;-6.49,1.89,;-4.95,1.89,;-8.8,.55,;-9.57,1.89,;-11.11,1.89,;-11.88,.55,;-11.11,-.78,;-11.59,-2.25,;-10.34,-3.15,;-9.1,-2.25,;-9.57,-.78,;.44,3.22,;1.98,3.22,;8.9,-.94,)| Show InChI InChI=1S/C27H40N4O2S/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106434
(US8586579, 23)Show SMILES O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)| Show InChI InChI=1S/C26H38N4O2S/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106433
(US8586579, 22)Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.38,1.85,;-1.15,.52,;-2.69,.52,;-3.46,-.82,;-5,-.82,;-5.77,.52,;-5,1.85,;-3.46,1.85,;-7.31,.52,;-8.08,1.85,;-9.62,1.85,;-10.39,.52,;-9.62,-.82,;-10.1,-2.28,;-8.85,-3.19,;-7.61,-2.28,;-8.08,-.82,;1.93,3.19,;3.47,3.19,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106426
(US8586579, 15)Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)| Show InChI InChI=1S/C21H30N4OS/c1-16(26)23-18-4-2-17(3-5-18)7-10-24-11-13-25(14-12-24)21-19-8-15-27-20(19)6-9-22-21/h6,8-9,15,17-18H,2-5,7,10-14H2,1H3,(H,23,26)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106430
(US8586579, 19)Show SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)| Show InChI InChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106435
(US8586579, 24)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)| Show InChI InChI=1S/C25H36N4O2S/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,9-10,18-21H,1-4,6-8,11-17H2,(H,27,30)/t19-,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106432
(US8586579, 21)Show SMILES CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.69,-2.62,;10.36,-3.39,;9.02,-2.62,;7.56,-3.1,;6.65,-1.85,;7.56,-.61,;6.79,.73,;5.25,.73,;4.48,-.61,;4.48,2.06,;2.94,2.06,;2.17,.73,;.63,.73,;-.14,2.06,;-1.68,2.06,;-2.45,.73,;-3.99,.73,;-4.76,-.61,;-6.3,-.61,;-7.07,.73,;-6.3,2.06,;-4.76,2.06,;-8.61,.73,;-9.38,2.06,;-10.92,2.06,;-11.69,.73,;-10.92,-.61,;-11.4,-2.07,;-10.15,-2.98,;-8.91,-2.07,;-9.38,-.61,;.63,3.39,;2.17,3.39,;9.02,-1.08,)| Show InChI InChI=1S/C27H40N4O2S/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106473
(US8586579, 62)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)| Show InChI InChI=1S/C29H35N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,13-14,21-22H,5-8,11-12,15-20H2,(H,32,35)/t21-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106432
(US8586579, 21)Show SMILES CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.69,-2.62,;10.36,-3.39,;9.02,-2.62,;7.56,-3.1,;6.65,-1.85,;7.56,-.61,;6.79,.73,;5.25,.73,;4.48,-.61,;4.48,2.06,;2.94,2.06,;2.17,.73,;.63,.73,;-.14,2.06,;-1.68,2.06,;-2.45,.73,;-3.99,.73,;-4.76,-.61,;-6.3,-.61,;-7.07,.73,;-6.3,2.06,;-4.76,2.06,;-8.61,.73,;-9.38,2.06,;-10.92,2.06,;-11.69,.73,;-10.92,-.61,;-11.4,-2.07,;-10.15,-2.98,;-8.91,-2.07,;-9.38,-.61,;.63,3.39,;2.17,3.39,;9.02,-1.08,)| Show InChI InChI=1S/C27H40N4O2S/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106439
(US8586579, 28)Show SMILES O[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)CC1 |r,wU:9.8,4.4,wD:12.12,1.0,(10.78,-2.82,;10.01,-1.48,;10.78,-.15,;10.01,1.18,;8.47,1.18,;7.7,2.52,;6.16,2.52,;5.39,3.85,;5.39,1.18,;3.85,1.18,;3.08,-.15,;1.54,-.15,;.77,1.18,;-.77,1.18,;-1.54,-.15,;-3.08,-.15,;-3.85,-1.48,;-5.39,-1.48,;-6.16,-.15,;-5.39,1.18,;-3.85,1.18,;-7.7,-.15,;-8.47,1.18,;-10.01,1.18,;-10.78,-.15,;-10.01,-1.48,;-10.49,-2.95,;-9.24,-3.85,;-7.99,-2.95,;-8.47,-1.48,;1.54,2.52,;3.08,2.52,;7.7,-.15,;8.47,-1.48,)| Show InChI InChI=1S/C27H40N4O2S/c32-23-7-3-21(4-8-23)19-26(33)29-22-5-1-20(2-6-22)10-13-30-14-16-31(17-15-30)27-24-11-18-34-25(24)9-12-28-27/h9,11-12,18,20-23,32H,1-8,10,13-17,19H2,(H,29,33)/t20-,21-,22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106495
(US8586579, 84)Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,-3.05,;9.97,-2.28,;9.49,-.82,;7.95,-.82,;7.18,.52,;5.64,.52,;4.87,-.82,;4.87,1.85,;3.33,1.85,;2.56,.52,;1.02,.52,;.25,1.85,;-1.29,1.85,;-2.06,.52,;-3.6,.52,;-4.37,-.82,;-5.91,-.82,;-6.68,.52,;-5.91,1.85,;-4.37,1.85,;-8.22,.52,;-8.99,1.85,;-10.53,1.85,;-11.3,.52,;-10.53,-.82,;-11.01,-2.28,;-9.76,-3.19,;-8.51,-2.28,;-8.99,-.82,;1.02,3.19,;2.56,3.19,;7.47,-2.28,;8.72,-3.19,)| Show InChI InChI=1S/C25H35N5O3/c1-18-16-21(33-28-18)17-24(31)27-20-4-2-19(3-5-20)7-10-29-11-13-30(14-12-29)25-22-8-15-32-23(22)6-9-26-25/h6,9,16,19-20H,2-5,7-8,10-15,17H2,1H3,(H,27,31)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106441
(US8586579, 30)Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:5.4,wD:8.8,(8.57,-.82,;7.8,.52,;9.14,1.29,;6.47,-.25,;7.03,1.85,;5.49,1.85,;4.72,.52,;3.18,.52,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,-.82,;-3.75,-.82,;-4.52,.52,;-3.75,1.85,;-2.21,1.85,;-6.06,.52,;-6.83,1.85,;-8.37,1.85,;-9.14,.52,;-8.37,-.82,;-8.84,-2.28,;-7.6,-3.19,;-6.35,-2.28,;-6.83,-.82,;3.18,3.19,;4.72,3.19,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-4-2-16(3-5-17)7-10-23-11-13-24(14-12-23)20-18-8-15-27-19(18)6-9-21-20/h6,8-9,15-17,22H,2-5,7,10-14H2,1H3/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106442
(US8586579, 31)Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(9.63,-.82,;8.09,-.82,;7.32,.52,;8.65,1.29,;5.98,-.25,;6.54,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5.01,.52,;-4.23,1.85,;-2.69,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H32N4O2S2/c1-2-29(26,27)23-18-5-3-17(4-6-18)8-11-24-12-14-25(15-13-24)21-19-9-16-28-20(19)7-10-22-21/h7,9-10,16-18,23H,2-6,8,11-15H2,1H3/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106437
(US8586579, 26)Show SMILES CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,2.1,wD:13.13,5.5,(11.88,-2.45,;10.55,-3.22,;9.22,-2.45,;7.88,-3.22,;6.74,-2.19,;7.37,-.78,;6.6,.55,;5.06,.55,;4.29,-.78,;4.29,1.89,;2.75,1.89,;1.98,.55,;.44,.55,;-.33,1.89,;-1.87,1.89,;-2.64,.55,;-4.18,.55,;-4.95,-.78,;-6.49,-.78,;-7.26,.55,;-6.49,1.89,;-4.95,1.89,;-8.8,.55,;-9.57,1.89,;-11.11,1.89,;-11.88,.55,;-11.11,-.78,;-11.59,-2.25,;-10.34,-3.15,;-9.1,-2.25,;-9.57,-.78,;.44,3.22,;1.98,3.22,;8.9,-.94,)| Show InChI InChI=1S/C27H40N4O2S/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106419
(US8586579, 8)Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:6.5,wD:9.9,(10.4,-.82,;8.86,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.46,.52,;1.93,.52,;1.15,1.85,;-.39,1.85,;-1.15,.52,;-2.7,.52,;-3.46,-.82,;-5,-.82,;-5.78,.52,;-5,1.85,;-3.46,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.46,3.19,)| Show InChI InChI=1S/C22H32N4O3/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106424
(US8586579, 13)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)C1CC1 |r,wU:3.2,wD:6.6,(6.26,-.82,;7.03,.52,;6.26,1.85,;4.72,1.85,;3.95,.52,;2.41,.52,;1.64,1.85,;.1,1.85,;-.67,.52,;-2.21,.52,;-2.98,-.82,;-4.52,-.82,;-5.29,.52,;-4.52,1.85,;-2.98,1.85,;-6.83,.52,;-7.6,1.85,;-9.14,1.85,;-9.91,.52,;-9.14,-.82,;-9.61,-2.28,;-8.37,-3.19,;-7.12,-2.28,;-7.6,-.82,;2.41,3.19,;3.95,3.19,;8.57,.52,;9.91,-.25,;9.91,1.29,)| Show InChI InChI=1S/C23H32N4O2/c28-23(18-3-4-18)25-19-5-1-17(2-6-19)8-11-26-12-14-27(15-13-26)22-20-9-16-29-21(20)7-10-24-22/h7,9-10,16-19H,1-6,8,11-15H2,(H,25,28)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106529
(US8586579, 118)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:16.17,wD:19.21,(13.77,.52,;12.23,.52,;11.46,-.82,;9.92,-.82,;9.15,.52,;9.92,1.85,;11.46,1.85,;7.8,.52,;7.03,-.82,;5.49,-.82,;4.72,.52,;5.49,1.85,;7.03,1.85,;3.18,.52,;2.41,-.82,;2.41,1.85,;.87,1.85,;.1,.52,;-1.44,.52,;-2.21,1.85,;-3.75,1.85,;-4.52,.52,;-6.06,.52,;-6.83,-.82,;-8.37,-.82,;-9.15,.52,;-8.37,1.85,;-6.83,1.85,;-10.69,.52,;-11.46,1.85,;-13,1.85,;-13.77,.52,;-13,-.82,;-13.48,-2.28,;-12.23,-3.19,;-10.99,-2.28,;-11.46,-.82,;-1.44,3.19,;.1,3.19,)| Show InChI InChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)/t24-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106468
(US8586579, 57)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)N1CCOCC1 |r,wU:3.2,wD:6.6,(3.08,-.82,;3.85,.52,;3.08,1.85,;1.54,1.85,;.77,.52,;-.77,.52,;-1.54,1.85,;-3.08,1.85,;-3.85,.52,;-5.39,.52,;-6.16,-.82,;-7.7,-.82,;-8.47,.52,;-7.7,1.85,;-6.16,1.85,;-10.01,.52,;-10.78,1.85,;-12.32,1.85,;-13.09,.52,;-12.32,-.82,;-12.8,-2.28,;-11.55,-3.19,;-10.3,-2.28,;-10.78,-.82,;-.77,3.19,;.77,3.19,;5.39,.52,;6.16,-.82,;7.7,-.82,;8.47,.52,;7.7,1.85,;6.16,1.85,;10.01,.52,;10.78,-.82,;12.32,-.82,;13.09,.52,;12.32,1.85,;10.78,1.85,)| Show InChI InChI=1S/C30H41N5O3/c36-30(24-3-7-26(8-4-24)34-18-21-37-22-19-34)32-25-5-1-23(2-6-25)10-13-33-14-16-35(17-15-33)29-27-11-20-38-28(27)9-12-31-29/h3-4,7-9,12,23,25H,1-2,5-6,10-11,13-22H2,(H,32,36)/t23-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106507
(US8586579, 96)Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3occc23)CC1 |r,wU:4.3,wD:7.7,(9.24,.52,;7.7,.52,;6.93,-.82,;6.93,1.85,;5.39,1.85,;4.62,.52,;3.08,.52,;2.31,1.85,;.77,1.85,;,.52,;-1.54,.52,;-2.31,-.82,;-3.85,-.82,;-4.62,.52,;-3.85,1.85,;-2.31,1.85,;-6.16,.52,;-6.93,1.85,;-8.47,1.85,;-9.24,3.19,;-9.24,.52,;-8.47,-.82,;-8.95,-2.28,;-7.7,-3.19,;-6.45,-2.28,;-6.93,-.82,;3.08,3.19,;4.62,3.19,)| Show InChI InChI=1S/C22H32N4O2/c1-16-15-21-20(8-14-28-21)22(23-16)26-12-10-25(11-13-26)9-7-18-3-5-19(6-4-18)24-17(2)27/h8,14-15,18-19H,3-7,9-13H2,1-2H3,(H,24,27)/t18-,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106510
(US8586579, 99)Show SMILES COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3occc23)CC1 |r,wU:7.6,wD:10.10,(10.78,-2.15,;10.01,-.82,;8.47,-.82,;7.7,.52,;6.16,.52,;5.39,-.82,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,3.19,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,)| Show InChI InChI=1S/C24H36N4O3/c1-18-17-22-21(8-16-31-22)24(25-18)28-13-11-27(12-14-28)10-7-19-3-5-20(6-4-19)26-23(29)9-15-30-2/h8,16-17,19-20H,3-7,9-15H2,1-2H3,(H,26,29)/t19-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106436
(US8586579, 25)Show SMILES CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.88,-2.45,;10.55,-3.22,;9.22,-2.45,;7.88,-3.22,;6.74,-2.19,;7.37,-.78,;6.6,.55,;5.06,.55,;4.29,-.78,;4.29,1.89,;2.75,1.89,;1.98,.55,;.44,.55,;-.33,1.89,;-1.87,1.89,;-2.64,.55,;-4.18,.55,;-4.95,-.78,;-6.49,-.78,;-7.26,.55,;-6.49,1.89,;-4.95,1.89,;-8.8,.55,;-9.57,1.89,;-11.11,1.89,;-11.88,.55,;-11.11,-.78,;-11.59,-2.25,;-10.34,-3.15,;-9.1,-2.25,;-9.57,-.78,;.44,3.22,;1.98,3.22,;8.9,-.94,)| Show InChI InChI=1S/C27H40N4O2S/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106462
(US8586579, 51)Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.7,wD:10.11,(5.88,-.92,;6.65,.41,;8.19,.41,;8.96,1.75,;10.29,2.52,;8.96,3.29,;5.88,1.75,;4.34,1.75,;3.57,.41,;2.03,.41,;1.26,1.75,;-.28,1.75,;-1.05,.41,;-2.59,.41,;-3.36,-.92,;-4.9,-.92,;-5.67,.41,;-4.9,1.75,;-3.36,1.75,;-7.21,.41,;-7.98,1.75,;-9.52,1.75,;-10.29,.41,;-9.52,-.92,;-10,-2.38,;-8.75,-3.29,;-7.51,-2.38,;-7.98,-.92,;2.03,3.08,;3.57,3.08,)| Show InChI InChI=1S/C24H36N4O2/c29-23(17-19-1-2-19)26-20-5-3-18(4-6-20)8-11-27-12-14-28(15-13-27)24-21-9-16-30-22(21)7-10-25-24/h7,10,18-20H,1-6,8-9,11-17H2,(H,26,29)/t18-,20- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106428
(US8586579, 17)Show SMILES CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:7.6,wD:10.10,(7.31,-2.15,;8.08,-.82,;9.63,-.82,;7.31,.52,;5.98,-.25,;8.65,1.29,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5,.52,;-4.23,1.85,;-2.69,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.63,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H33N5O3S/c1-24(2)30(27,28)23-18-5-3-17(4-6-18)8-11-25-12-14-26(15-13-25)21-19-9-16-29-20(19)7-10-22-21/h7,9-10,16-18,23H,3-6,8,11-15H2,1-2H3/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106440
(US8586579, 29)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(5.39,-.67,;6.16,.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,;7.7,.67,;8.47,2,;10.01,2,;10.78,.67,;10.01,-.67,;10.78,-2,;10.01,-3.33,;8.47,-3.33,;7.7,-2,;8.47,-.67,)| Show InChI InChI=1S/C29H33N5O2/c35-29(24-9-13-30-26-4-2-1-3-23(24)26)32-22-7-5-21(6-8-22)11-15-33-16-18-34(19-17-33)28-25-12-20-36-27(25)10-14-31-28/h1-4,9-10,12-14,20-22H,5-8,11,15-19H2,(H,32,35)/t21-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106420
(US8586579, 9)Show SMILES CO[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4occc34)CC2)CC1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.55,-2.82,;10.01,-2.82,;9.24,-1.48,;10.01,-.15,;9.24,1.18,;7.7,1.18,;6.93,2.52,;5.39,2.52,;4.62,3.85,;4.62,1.18,;3.08,1.18,;2.31,-.15,;.77,-.15,;,1.18,;-1.54,1.18,;-2.31,-.15,;-3.85,-.15,;-4.62,-1.48,;-6.16,-1.48,;-6.93,-.15,;-6.16,1.18,;-4.62,1.18,;-8.47,-.15,;-9.24,1.18,;-10.78,1.18,;-11.55,-.15,;-10.78,-1.48,;-11.26,-2.95,;-10.01,-3.85,;-8.76,-2.95,;-9.24,-1.48,;.77,2.52,;2.31,2.52,;6.93,-.15,;7.7,-1.48,)| Show InChI InChI=1S/C28H42N4O3/c1-34-24-8-4-22(5-9-24)20-27(33)30-23-6-2-21(3-7-23)11-14-31-15-17-32(18-16-31)28-25-12-19-35-26(25)10-13-29-28/h10,12-13,19,21-24H,2-9,11,14-18,20H2,1H3,(H,30,33)/t21-,22-,23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106418
(US8586579, 7)Show SMILES OCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:5.4,wD:8.8,(9.62,1.85,;8.85,.52,;7.31,.52,;6.54,-.82,;6.54,1.85,;5,1.85,;4.23,.52,;2.69,.52,;1.92,1.85,;.38,1.85,;-.39,.52,;-1.93,.52,;-2.7,-.82,;-4.24,-.82,;-5.01,.52,;-4.24,1.85,;-2.7,1.85,;-6.54,.52,;-7.31,1.85,;-8.85,1.85,;-9.62,.52,;-8.85,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.31,-.82,;2.69,3.19,;4.23,3.19,)| Show InChI InChI=1S/C21H30N4O3/c26-15-20(27)23-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-18-7-14-28-19(18)5-8-22-21/h5,7-8,14,16-17,26H,1-4,6,9-13,15H2,(H,23,27)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106516
(US8586579, 105)Show SMILES Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12 |r,wU:14.17,wD:11.10,(-11.55,.52,;-10.01,.52,;-9.24,1.85,;-7.7,1.85,;-6.93,.52,;-5.39,.52,;-4.62,-.82,;-3.08,-.82,;-2.31,.52,;-.77,.52,;,1.85,;1.54,1.85,;2.31,.52,;3.85,.52,;4.62,1.85,;3.85,3.19,;2.31,3.19,;6.16,1.85,;6.93,.52,;6.16,-.82,;8.47,.52,;9.24,-.82,;10.78,-.82,;11.55,.52,;10.78,1.85,;9.24,1.85,;-3.08,1.85,;-4.62,1.85,;-7.7,-.82,;-7.22,-2.28,;-8.47,-3.19,;-9.72,-2.28,;-9.24,-.82,)| Show InChI InChI=1S/C26H38N4O3/c1-19-18-27-25(23-9-17-33-24(19)23)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106444
(US8586579, 33)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCOCC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,-.82,;10.01,-.82,;10.78,.52,;10.01,1.85,;8.47,1.85,)| Show InChI InChI=1S/C25H38N4O3/c30-25(20-7-16-31-17-8-20)27-21-3-1-19(2-4-21)6-11-28-12-14-29(15-13-28)24-22-9-18-32-23(22)5-10-26-24/h5,10,19-21H,1-4,6-9,11-18H2,(H,27,30)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106469
(US8586579, 58)Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:7.7,wD:10.11,(9.27,-.82,;8.5,.52,;9.98,.92,;8.89,2.01,;6.96,.52,;6.19,-.82,;6.19,1.85,;4.65,1.85,;3.88,.52,;2.34,.52,;1.57,1.85,;.03,1.85,;-.74,.52,;-2.28,.52,;-3.05,-.82,;-4.59,-.82,;-5.36,.52,;-4.59,1.85,;-3.05,1.85,;-6.9,.52,;-7.67,1.85,;-9.21,1.85,;-9.98,.52,;-9.21,-.82,;-9.69,-2.28,;-8.44,-3.19,;-7.2,-2.28,;-7.67,-.82,;2.34,3.19,;3.88,3.19,)| Show InChI InChI=1S/C23H34N4O3/c28-22(23(29)8-9-23)25-18-3-1-17(2-4-18)6-11-26-12-14-27(15-13-26)21-19-7-16-30-20(19)5-10-24-21/h5,10,17-18,29H,1-4,6-9,11-16H2,(H,25,28)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM106439
(US8586579, 28)Show SMILES O[C@H]1CC[C@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4sccc34)CC2)CC1 |r,wU:9.8,4.4,wD:12.12,1.0,(10.78,-2.82,;10.01,-1.48,;10.78,-.15,;10.01,1.18,;8.47,1.18,;7.7,2.52,;6.16,2.52,;5.39,3.85,;5.39,1.18,;3.85,1.18,;3.08,-.15,;1.54,-.15,;.77,1.18,;-.77,1.18,;-1.54,-.15,;-3.08,-.15,;-3.85,-1.48,;-5.39,-1.48,;-6.16,-.15,;-5.39,1.18,;-3.85,1.18,;-7.7,-.15,;-8.47,1.18,;-10.01,1.18,;-10.78,-.15,;-10.01,-1.48,;-10.49,-2.95,;-9.24,-3.85,;-7.99,-2.95,;-8.47,-1.48,;1.54,2.52,;3.08,2.52,;7.7,-.15,;8.47,-1.48,)| Show InChI InChI=1S/C27H40N4O2S/c32-23-7-3-21(4-8-23)19-26(33)29-22-5-1-20(2-6-22)10-13-30-14-16-31(17-15-30)27-24-11-18-34-25(24)9-12-28-27/h9,11-12,18,20-23,32H,1-8,10,13-17,19H2,(H,29,33)/t20-,21-,22-,23- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106421
(US8586579, 10)Show SMILES O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1 |r,wU:10.10,wD:13.14,(5.39,-.67,;6.16,.67,;7.7,.67,;8.47,-.67,;7.7,-2,;8.47,-3.33,;10.01,-3.33,;10.78,-2,;10.01,-.67,;5.39,2,;3.85,2,;3.08,.67,;1.54,.67,;.77,2,;-.77,2,;-1.54,.67,;-3.08,.67,;-3.85,-.67,;-5.39,-.67,;-6.16,.67,;-5.39,2,;-3.85,2,;-7.7,.67,;-8.47,2,;-10.01,2,;-10.78,.67,;-10.01,-.67,;-10.49,-2.13,;-9.24,-3.04,;-7.99,-2.13,;-8.47,-.67,;1.54,3.33,;3.08,3.33,)| Show InChI InChI=1S/C26H38N4O3/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106466
(US8586579, 55)Show SMILES C[C@@]1(O)CC[C@@H](CC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:11.11,1.0,wD:14.15,5.8,1.1,(11.45,1.29,;10.11,.52,;11.45,-.25,;9.34,-.82,;7.8,-.82,;7.03,.52,;7.8,1.85,;9.34,1.85,;5.49,.52,;4.72,-.82,;4.72,1.85,;3.18,1.85,;2.41,.52,;.87,.52,;.1,1.85,;-1.44,1.85,;-2.21,.52,;-3.75,.52,;-4.52,-.82,;-6.06,-.82,;-6.83,.52,;-6.06,1.85,;-4.52,1.85,;-8.37,.52,;-9.14,1.85,;-10.68,1.85,;-11.45,.52,;-10.68,-.82,;-11.15,-2.28,;-9.91,-3.19,;-8.66,-2.28,;-9.14,-.82,;.87,3.19,;2.41,3.19,)| Show InChI InChI=1S/C27H42N4O3/c1-27(33)11-6-21(7-12-27)26(32)29-22-4-2-20(3-5-22)9-14-30-15-17-31(18-16-30)25-23-10-19-34-24(23)8-13-28-25/h8,13,20-22,33H,2-7,9-12,14-19H2,1H3,(H,29,32)/t20-,21-,22-,27+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106454
(US8586579, 43)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCCO1 |r,wU:3.2,wD:6.6,(5.75,-.82,;6.52,.52,;5.75,1.85,;4.21,1.85,;3.44,.52,;1.9,.52,;1.13,1.85,;-.41,1.85,;-1.18,.52,;-2.72,.52,;-3.49,-.82,;-5.03,-.82,;-5.8,.52,;-5.03,1.85,;-3.49,1.85,;-7.34,.52,;-8.11,1.85,;-9.65,1.85,;-10.42,.52,;-9.65,-.82,;-10.13,-2.28,;-8.88,-3.19,;-7.64,-2.28,;-8.11,-.82,;1.9,3.19,;3.44,3.19,;8.06,.52,;8.96,1.76,;10.42,1.29,;10.42,-.25,;8.96,-.73,)| Show InChI InChI=1S/C24H36N4O3/c29-24(22-2-1-16-30-22)26-19-5-3-18(4-6-19)8-11-27-12-14-28(15-13-27)23-20-9-17-31-21(20)7-10-25-23/h7,10,18-19,22H,1-6,8-9,11-17H2,(H,26,29)/t18-,19-,22? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106464
(US8586579, 53)Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)C1CCCOC1 |r,wU:3.2,wD:6.6,(5.39,-.82,;6.16,.52,;5.39,1.85,;3.85,1.85,;3.08,.52,;1.54,.52,;.77,1.85,;-.77,1.85,;-1.54,.52,;-3.08,.52,;-3.85,-.82,;-5.39,-.82,;-6.16,.52,;-5.39,1.85,;-3.85,1.85,;-7.7,.52,;-8.47,1.85,;-10.01,1.85,;-10.78,.52,;-10.01,-.82,;-10.49,-2.28,;-9.24,-3.19,;-7.99,-2.28,;-8.47,-.82,;1.54,3.19,;3.08,3.19,;7.7,.52,;8.47,1.85,;10.01,1.85,;10.78,.52,;10.01,-.82,;8.47,-.82,)| Show InChI InChI=1S/C25H38N4O3/c30-25(20-2-1-16-31-18-20)27-21-5-3-19(4-6-21)8-11-28-12-14-29(15-13-28)24-22-9-17-32-23(22)7-10-26-24/h7,10,19-21H,1-6,8-9,11-18H2,(H,27,30)/t19-,20?,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM106413
(US8586579, 2)Show SMILES CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4occc34)CC2)C1 |r,wU:10.9,5.5,wD:13.13,2.1,(11.97,-2.28,;10.63,-3.05,;9.3,-2.28,;8.05,-3.19,;6.81,-2.28,;7.28,-.82,;6.51,.52,;4.97,.52,;4.2,-.82,;4.2,1.85,;2.66,1.85,;1.89,.52,;.35,.52,;-.42,1.85,;-1.96,1.85,;-2.73,.52,;-4.27,.52,;-5.04,-.82,;-6.58,-.82,;-7.35,.52,;-6.58,1.85,;-5.04,1.85,;-8.89,.52,;-9.66,1.85,;-11.2,1.85,;-11.97,.52,;-11.2,-.82,;-11.67,-2.28,;-10.43,-3.19,;-9.18,-2.28,;-9.66,-.82,;.35,3.19,;1.89,3.19,;8.82,-.82,)| Show InChI InChI=1S/C27H40N4O3/c1-33-23-7-4-21(18-23)19-26(32)29-22-5-2-20(3-6-22)9-12-30-13-15-31(16-14-30)27-24-10-17-34-25(24)8-11-28-27/h8,10-11,17,20-23H,2-7,9,12-16,18-19H2,1H3,(H,29,32)/t20-,21-,22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr... |
US Patent US8586579 (2013)
BindingDB Entry DOI: 10.7270/Q2QV3K55 |
More data for this
Ligand-Target Pair | |
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