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Compile Data Set for Download or QSAR

Found 169 hits Enz. Inhib. hit(s) with all data for entry = 6488   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
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n/an/a 0.640n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352719
PNG
(CHEMBL1823215 | US8835436, Example 152)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m1/s1
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n/an/a 0.75n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131905
PNG
(US8835436, Example 148)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C28H37N5O2/c1-19-9-11-24(12-10-19)33-22(4)27(30-23(33)5)28(35)29-17-25(34)18-31-13-15-32(16-14-31)26-8-6-7-20(2)21(26)3/h6-12,25,34H,13-18H2,1-5H3,(H,29,35)
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n/an/a 3.89n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352718
PNG
(CHEMBL1823214 | US8835436, Example 139)
Show SMILES Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m0/s1
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n/an/a 5.08n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352749
PNG
(CHEMBL1822905 | US8835436, Example 143)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C28H35Cl2N5O2/c1-4-7-25-32-27(20(2)35(25)21-10-12-22(37-3)13-11-21)28(36)31-14-6-15-33-16-18-34(19-17-33)24-9-5-8-23(29)26(24)30/h5,8-13H,4,6-7,14-19H2,1-3H3,(H,31,36)
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n/an/a 5.17n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131904
PNG
(US8835436, Example 147)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C28H37N5O/c1-20-10-12-25(13-11-20)33-23(4)27(30-24(33)5)28(34)29-14-7-15-31-16-18-32(19-17-31)26-9-6-8-21(2)22(26)3/h6,8-13H,7,14-19H2,1-5H3,(H,29,34)
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n/an/a 5.95n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352701
PNG
(CHEMBL1823189 | US8835436, Example 137)
Show SMILES CCCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H41N5O3/c1-6-8-28-32-29(23(4)35(28)24-11-13-26(38-5)14-12-24)30(37)31-19-25(36)20-33-15-17-34(18-16-33)27-10-7-9-21(2)22(27)3/h7,9-14,25,36H,6,8,15-20H2,1-5H3,(H,31,37)
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n/an/a 6n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352665
PNG
(CHEMBL1823079 | US8835436, Example 153)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C26H31ClFN5O/c1-18-21(27)8-6-11-23(18)32-16-14-31(15-17-32)13-7-12-29-26(34)25-19(2)33(20(3)30-25)24-10-5-4-9-22(24)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)
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n/an/a 6.17n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352727
PNG
(CHEMBL1822913 | US8835436, Example 150)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)
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n/an/a 8.63n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131894
PNG
(US8835436, Example 109)
Show SMILES CCc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C28H37N5O2/c1-5-26-30-27(22(4)33(26)23-11-7-6-8-12-23)28(35)29-18-24(34)19-31-14-16-32(17-15-31)25-13-9-10-20(2)21(25)3/h6-13,24,34H,5,14-19H2,1-4H3,(H,29,35)
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n/an/a 9n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352756
PNG
(CHEMBL1823069 | US8835436, Example 99)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C28H37N5O2/c1-20-10-8-12-24(21(20)2)32-18-16-31(17-19-32)15-9-14-29-28(34)27-22(3)33(23(4)30-27)25-11-6-7-13-26(25)35-5/h6-8,10-13H,9,14-19H2,1-5H3,(H,29,34)
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n/an/a 9n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352727
PNG
(CHEMBL1822913 | US8835436, Example 150)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)
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n/an/a 9.17n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352712
PNG
(CHEMBL1823209 | US8835436, Example 149)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)
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n/an/a 9.86n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352681
PNG
(CHEMBL1823095 | US8835436, Example 105)
Show SMILES COc1cc(OC)cc(c1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C29H39N5O3/c1-20-9-7-10-27(21(20)2)33-15-13-32(14-16-33)12-8-11-30-29(35)28-22(3)34(23(4)31-28)24-17-25(36-5)19-26(18-24)37-6/h7,9-10,17-19H,8,11-16H2,1-6H3,(H,30,35)
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n/an/a 10n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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n/an/a 10.2n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352660
PNG
(CHEMBL1823074 | US8835436, Example 135)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H38ClN5O2/c1-5-8-27-32-28(22(3)35(27)23-11-13-24(37-4)14-12-23)29(36)31-15-7-16-33-17-19-34(20-18-33)26-10-6-9-25(30)21(26)2/h6,9-14H,5,7-8,15-20H2,1-4H3,(H,31,36)
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n/an/a 10.2n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352746
PNG
(CHEMBL1822902 | US8835436, Example 145)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)
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n/an/a 10.3n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352720
PNG
(CHEMBL1823216 | US8835436, Example 140)
Show SMILES Cc1nc(C(=O)NC[C@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C27H34FN5O2/c1-18-8-7-11-24(19(18)2)32-14-12-31(13-15-32)17-22(34)16-29-27(35)26-20(3)33(21(4)30-26)25-10-6-5-9-23(25)28/h5-11,22,34H,12-17H2,1-4H3,(H,29,35)/t22-/m0/s1
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n/an/a 10.3n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352692
PNG
(CHEMBL1823106 | US8835436, Example 96)
Show SMILES CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C24H37N5O2/c1-6-10-29-19(4)23(26-20(29)5)24(31)25-15-21(30)16-27-11-13-28(14-12-27)22-9-7-8-17(2)18(22)3/h7-9,21,30H,6,10-16H2,1-5H3,(H,25,31)
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n/an/a 10.4n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131901
PNG
(US8835436, Example 132)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccn1
Show InChI InChI=1S/C26H34N6O/c1-19-9-7-10-23(20(19)2)31-17-15-30(16-18-31)14-8-13-28-26(33)25-21(3)32(22(4)29-25)24-11-5-6-12-27-24/h5-7,9-12H,8,13-18H2,1-4H3,(H,28,33)
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n/an/a 12n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352712
PNG
(CHEMBL1823209 | US8835436, Example 149)
Show SMILES Cc1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O4/c1-17-26(31-18(2)34(17)19-6-7-23-24(14-19)38-13-12-37-23)27(36)30-15-20(35)16-32-8-10-33(11-9-32)22-5-3-4-21(28)25(22)29/h3-7,14,20,35H,8-13,15-16H2,1-2H3,(H,30,36)
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n/an/a 12n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM131892
PNG
(US8835436, Example 103)
Show SMILES Cc1nc(C(=O)NCCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl
Show InChI InChI=1S/C28H36ClN5O/c1-20-10-9-13-25(21(20)2)33-18-16-32(17-19-33)15-8-7-14-30-28(35)27-22(3)34(23(4)31-27)26-12-6-5-11-24(26)29/h5-6,9-13H,7-8,14-19H2,1-4H3,(H,30,35)
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n/an/a 12n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131891
PNG
(US8835436, Example 100)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
Show InChI InChI=1S/C28H37N5O3/c1-19-9-8-11-24(20(19)2)32-15-13-31(14-16-32)18-23(34)17-29-28(35)27-21(3)33(22(4)30-27)25-10-6-7-12-26(25)36-5/h6-12,23,34H,13-18H2,1-5H3,(H,29,35)
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n/an/a 12n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131890
PNG
(US8835436, Example 98)
Show SMILES CCCn1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1S/C23H34ClN5O2/c1-5-9-29-17(3)22(26-18(29)4)23(31)25-14-19(30)15-27-10-12-28(13-11-27)21-8-6-7-20(24)16(21)2/h6-8,19,30H,5,9-15H2,1-4H3,(H,25,31)
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Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352695
PNG
(CHEMBL1823183 | US8835436, Example 146)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C26H31Cl2N5O3/c1-17-25(30-18(2)33(17)21-8-4-5-10-23(21)36-3)26(35)29-15-19(34)16-31-11-13-32(14-12-31)22-9-6-7-20(27)24(22)28/h4-10,19,34H,11-16H2,1-3H3,(H,29,35)
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Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352658
PNG
(CHEMBL1823072 | US8835436, Example 138)
Show SMILES COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1S/C27H34ClN5O2/c1-19-24(28)7-5-8-25(19)32-17-15-31(16-18-32)14-6-13-29-27(34)26-20(2)33(21(3)30-26)22-9-11-23(35-4)12-10-22/h5,7-12H,6,13-18H2,1-4H3,(H,29,34)
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Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352755
PNG
(CHEMBL1823068 | US8835436, Example 144)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1S/C27H34ClN5O2/c1-19-22(28)9-7-11-23(19)32-17-15-31(16-18-32)14-8-13-29-27(34)26-20(2)33(21(3)30-26)24-10-5-6-12-25(24)35-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)
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Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352742
PNG
(CHEMBL1822898 | US8835436, Example 7)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H33Cl2N5O/c1-3-9-24-31-26(20(2)34(24)21-10-5-4-6-11-21)27(35)30-14-8-15-32-16-18-33(19-17-32)23-13-7-12-22(28)25(23)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,30,35)
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n/an/a 13n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352751
PNG
(CHEMBL1822907 | US8835436, Example 154)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C25H28Cl2FN5O/c1-17-24(30-18(2)33(17)21-9-4-3-8-20(21)28)25(34)29-11-6-12-31-13-15-32(16-14-31)22-10-5-7-19(26)23(22)27/h3-5,7-10H,6,11-16H2,1-2H3,(H,29,34)
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Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50352727
PNG
(CHEMBL1822913 | US8835436, Example 150)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-18-26(31-19(2)34(18)20-7-8-23-24(17-20)37-16-15-36-23)27(35)30-9-4-10-32-11-13-33(14-12-32)22-6-3-5-21(28)25(22)29/h3,5-8,17H,4,9-16H2,1-2H3,(H,30,35)
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Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM131893
PNG
(US8835436, Example 106)
Show SMILES CC(C)c1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C29H39N5O2/c1-20(2)28-31-27(23(5)34(28)24-11-7-6-8-12-24)29(36)30-18-25(35)19-32-14-16-33(17-15-32)26-13-9-10-21(3)22(26)4/h6-13,20,25,35H,14-19H2,1-5H3,(H,30,36)
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n/an/a 15n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352660
PNG
(CHEMBL1823074 | US8835436, Example 135)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c(C)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H38ClN5O2/c1-5-8-27-32-28(22(3)35(27)23-11-13-24(37-4)14-12-23)29(36)31-15-7-16-33-17-19-34(20-18-33)26-10-6-9-25(30)21(26)2/h6,9-14H,5,7-8,15-20H2,1-4H3,(H,31,36)
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Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352746
PNG
(CHEMBL1822902 | US8835436, Example 145)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)
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n/an/a 15.8n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM131897
PNG
(US8835436, Example 113)
Show SMILES CC(C)c1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C28H37N5O/c1-20(2)27-30-26(23(5)33(27)24-11-7-6-8-12-24)28(34)29-14-15-31-16-18-32(19-17-31)25-13-9-10-21(3)22(25)4/h6-13,20H,14-19H2,1-5H3,(H,29,34)
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Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352732
PNG
(CHEMBL1823059 | US8835436, Example 104)
Show SMILES CC(C)c1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
Show InChI InChI=1S/C29H39N5O/c1-21(2)28-31-27(24(5)34(28)25-12-7-6-8-13-25)29(35)30-15-10-16-32-17-19-33(20-18-32)26-14-9-11-22(3)23(26)4/h6-9,11-14,21H,10,15-20H2,1-5H3,(H,30,35)
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Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352755
PNG
(CHEMBL1823068 | US8835436, Example 144)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1S/C27H34ClN5O2/c1-19-22(28)9-7-11-23(19)32-17-15-31(16-18-32)14-8-13-29-27(34)26-20(2)33(21(3)30-26)24-10-5-6-12-25(24)35-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)
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Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352751
PNG
(CHEMBL1822907 | US8835436, Example 154)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F
Show InChI InChI=1S/C25H28Cl2FN5O/c1-17-24(30-18(2)33(17)21-9-4-3-8-20(21)28)25(34)29-11-6-12-31-13-15-32(16-14-31)22-10-5-7-19(26)23(22)27/h3-5,7-10H,6,11-16H2,1-2H3,(H,29,34)
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Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352675
PNG
(CHEMBL1823089 | US8835436, Example 101)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl
Show InChI InChI=1S/C27H34ClN5O/c1-19-9-7-12-24(20(19)2)32-17-15-31(16-18-32)14-8-13-29-27(34)26-21(3)33(22(4)30-26)25-11-6-5-10-23(25)28/h5-7,9-12H,8,13-18H2,1-4H3,(H,29,34)
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n/an/a 17n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
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n/an/a 18.6n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352664
PNG
(CHEMBL1823078 | US8835436, Example 134)
Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C32H37N5O2/c1-24-9-7-12-30(25(24)2)36-21-19-35(20-22-36)18-8-17-33-32(38)29-23-37(27-13-15-28(39-3)16-14-27)31(34-29)26-10-5-4-6-11-26/h4-7,9-16,23H,8,17-22H2,1-3H3,(H,33,38)
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n/an/a 19n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352691
PNG
(CHEMBL1823105 | US8835436, Example 155)
Show SMILES Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C32H37N5O2/c1-23-11-10-16-29(24(23)2)36-19-17-35(18-20-36)22-28(38)21-33-32(39)30-25(3)37(27-14-8-5-9-15-27)31(34-30)26-12-6-4-7-13-26/h4-16,28,38H,17-22H2,1-3H3,(H,33,39)
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n/an/a 19.1n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352748
PNG
(CHEMBL1822904 | US8835436, Example 10)
Show SMILES COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)20-8-10-21(35-3)11-9-20)26(34)29-12-5-13-31-14-16-32(17-15-31)23-7-4-6-22(27)24(23)28/h4,6-11H,5,12-17H2,1-3H3,(H,29,34)
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n/an/a 20n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352722
PNG
(CHEMBL1823218 | US8835436, Example 142)
Show SMILES Cc1c(nc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H](O)CN1CCN(CC1)c1cccc(Cl)c1C
Show InChI InChI=1S/C31H33ClFN5O2/c1-21-27(32)9-6-10-28(21)37-17-15-36(16-18-37)20-26(39)19-34-31(40)29-22(2)38(25-13-11-24(33)12-14-25)30(35-29)23-7-4-3-5-8-23/h3-14,26,39H,15-20H2,1-2H3,(H,34,40)/t26-/m0/s1
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n/an/a 20.1n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352742
PNG
(CHEMBL1822898 | US8835436, Example 7)
Show SMILES CCCc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C27H33Cl2N5O/c1-3-9-24-31-26(20(2)34(24)21-10-5-4-6-11-21)27(35)30-14-8-15-32-16-18-33(19-17-32)23-13-7-12-22(28)25(23)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,30,35)
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n/an/a 21n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM131898
PNG
(US8835436, Example 114)
Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C26H32FN5O/c1-18-6-5-7-24(19(18)2)31-16-14-30(15-17-31)13-12-28-26(33)25-20(3)32(21(4)29-25)23-10-8-22(27)9-11-23/h5-11H,12-17H2,1-4H3,(H,28,33)
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n/an/a 23n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352658
PNG
(CHEMBL1823072 | US8835436, Example 138)
Show SMILES COc1ccc(cc1)-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1S/C27H34ClN5O2/c1-19-24(28)7-5-8-25(19)32-17-15-31(16-18-32)14-6-13-29-27(34)26-20(2)33(21(3)30-26)22-9-11-23(35-4)12-10-22/h5,7-12H,6,13-18H2,1-4H3,(H,29,34)
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n/an/a 23.1n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50352689
PNG
(CHEMBL1823103 | US8835436, Example 156)
Show SMILES Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C30H31Cl2N5O2/c1-21-28(34-29(22-9-4-2-5-10-22)37(21)23-11-6-3-7-12-23)30(39)33-19-24(38)20-35-15-17-36(18-16-35)26-14-8-13-25(31)27(26)32/h2-14,24,38H,15-20H2,1H3,(H,33,39)
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n/an/a 24n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50352746
PNG
(CHEMBL1822902 | US8835436, Example 145)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C26H31Cl2N5O2/c1-18-25(30-19(2)33(18)21-9-4-5-11-23(21)35-3)26(34)29-12-7-13-31-14-16-32(17-15-31)22-10-6-8-20(27)24(22)28/h4-6,8-11H,7,12-17H2,1-3H3,(H,29,34)
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n/an/a 25.5n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM131899
PNG
(US8835436, Example 115)
Show SMILES Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCOc2c1
Show InChI InChI=1S/C27H33N5O3/c1-18-6-5-7-23(19(18)2)31-14-12-30(13-15-31)11-10-28-27(33)26-20(3)32(21(4)29-26)22-8-9-24-25(16-22)35-17-34-24/h5-9,16H,10-15,17H2,1-4H3,(H,28,33)
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n/an/a 27n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
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