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Compile Data Set for Download or QSAR

Found 1386 hits with Last Name = 'nacro' and Initial = 'k'   
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
Protein kinase C alpha type


(Bos taurus (bovine))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine


J Med Chem 44: 1892-904 (2001)


BindingDB Entry DOI: 10.7270/Q2H995WH
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC |c:23,t:12|
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104371
PNG
(US8575186, 134/183/184 | US8575186, 199 | US857518...)
Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3|
Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104408
PNG
(US8575186, 171/172 | US8575186, 188)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104331
PNG
(US8575186, 177 | US8575186, 178 | US8575186, 94/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104378
PNG
(US8575186, 141)
Show SMILES Cc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1csc2ccccc12 |THB:5:6:16:8.9,13:12:16:8.9|
Show InChI InChI=1S/C23H22N2O2S2/c1-13-9-15(29(26,27)21-12-28-20-6-4-3-5-16(20)21)11-17-22-18-8-7-14(24-18)10-19(22)25(2)23(13)17/h3-6,9,11-12,14,18,24H,7-8,10H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104467
PNG
(US8575186, 230/231 | US8575186, 247)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1cc(C)c2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C24H25N3O3S/c1-14-13-27(20-7-5-4-6-17(14)20)31(28,29)16-11-18-23-19-9-8-15(25-19)10-21(23)26(2)24(18)22(12-16)30-3/h4-7,11-13,15,19,25H,8-10H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104382
PNG
(US8575186, 145)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H23N3O3S/c1-26-20-10-14-3-5-19(25-14)22(20)17-11-16(12-21(29-2)23(17)26)30(27,28)15-4-6-18-13(9-15)7-8-24-18/h4,6-9,11-12,14,19,24-25H,3,5,10H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104331
PNG
(US8575186, 177 | US8575186, 178 | US8575186, 94/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.330n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104361
PNG
(US8575186, 124)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cc(F)c2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20FN3O2S/c1-26-19-5-3-14(10-16(19)21-18-4-2-13(25-18)9-20(21)26)29(27,28)15-8-12-6-7-24-22(12)17(23)11-15/h3,5-8,10-11,13,18,24-25H,2,4,9H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104371
PNG
(US8575186, 134/183/184 | US8575186, 199 | US857518...)
Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3|
Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104477
PNG
(US8575186, 240/241 | US8575186, 257)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H23N3O3S/c1-25-20-11-15-7-8-18(24-15)22(20)17-12-16(13-21(29-2)23(17)25)30(27,28)26-10-9-14-5-3-4-6-19(14)26/h3-6,9-10,12-13,15,18,24H,7-8,11H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104408
PNG
(US8575186, 171/172 | US8575186, 188)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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PubMed
0.370n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104331
PNG
(US8575186, 177 | US8575186, 178 | US8575186, 94/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.370n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104402
PNG
(US8575186, 165/166 | US8575186, 182)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1 |THB:27:26:25:23.22,17:19:25:23.22|
Show InChI InChI=1S/C23H23N3O2S/c1-25-13-22(16-5-3-4-6-19(16)25)29(27,28)15-8-10-20-17(12-15)23-18-9-7-14(24-18)11-21(23)26(20)2/h3-6,8,10,12-14,18,24H,7,9,11H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104321
PNG
(US8575186, 250 | US8575186, 251 | US8575186, 84/23...)
Show SMILES CCOc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccccc1 |THB:7:8:18:10.11,15:14:18:10.11|
Show InChI InChI=1S/C22H24N2O3S/c1-3-27-20-13-16(28(25,26)15-7-5-4-6-8-15)12-17-21-18-10-9-14(23-18)11-19(21)24(2)22(17)20/h4-8,12-14,18,23H,3,9-11H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104371
PNG
(US8575186, 134/183/184 | US8575186, 199 | US857518...)
Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3|
Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104475
PNG
(US8575186, 238/239 | US8575186, 255)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccc(F)cc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H22FN3O3S/c1-26-20-10-15-5-6-18(25-15)22(20)17-11-16(12-21(30-2)23(17)26)31(28,29)27-8-7-13-3-4-14(24)9-19(13)27/h3-4,7-9,11-12,15,18,25H,5-6,10H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104454
PNG
(US8575186, 217/218 | US8575186, 234)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccccc1F |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C21H21FN2O3S/c1-24-17-9-12-7-8-16(23-12)20(17)14-10-13(11-18(27-2)21(14)24)28(25,26)19-6-4-3-5-15(19)22/h3-6,10-12,16,23H,7-9H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104376
PNG
(US8575186, 139)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(cc(F)c12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H19FN2O2S2/c1-25-18-8-12-6-7-17(24-12)21(18)15-9-13(10-16(23)22(15)25)29(26,27)20-11-28-19-5-3-2-4-14(19)20/h2-5,9-12,17,24H,6-8H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104360
PNG
(US8575186, 123)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cc(c2[nH]ccc2c1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C23H20F3N3O2S/c1-29-19-5-3-14(10-16(19)21-18-4-2-13(28-18)9-20(21)29)32(30,31)15-8-12-6-7-27-22(12)17(11-15)23(24,25)26/h3,5-8,10-11,13,18,27-28H,2,4,9H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104430
PNG
(US8575186, 193/194 | US8575186, 210)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(Cl)cc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20ClN3O2S/c1-25-19-7-5-16(12-17(19)22-18-6-4-15(24-18)11-21(22)25)29(27,28)26-9-8-13-2-3-14(23)10-20(13)26/h2-3,5,7-10,12,15,18,24H,4,6,11H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104456
PNG
(US8575186, 219/220 | US8575186, 236)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1cccc(Cl)c1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C21H21ClN2O3S/c1-24-18-9-13-6-7-17(23-13)20(18)16-10-15(11-19(27-2)21(16)24)28(25,26)14-5-3-4-12(22)8-14/h3-5,8,10-11,13,17,23H,6-7,9H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104302
PNG
(US8575186, 203 | US8575186, 204 | US8575186, 65/18...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(F)cc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20FN3O2S/c1-25-19-7-5-16(12-17(19)22-18-6-4-15(24-18)11-21(22)25)29(27,28)26-9-8-13-2-3-14(23)10-20(13)26/h2-3,5,7-10,12,15,18,24H,4,6,11H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104462
PNG
(US8575186, 225/226 | US8575186, 242)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4C)S(=O)(=O)c1cccc(Cl)c1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C22H23ClN2O3S/c1-24-14-7-8-18(24)21-17-11-16(29(26,27)15-6-4-5-13(23)9-15)12-20(28-3)22(17)25(2)19(21)10-14/h4-6,9,11-12,14,18H,7-8,10H2,1-3H3
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0.530n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104446
PNG
(US8575186, 209/215/216 | US8575186, 231 | US857518...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(cc(O)c12)S(=O)(=O)c1cccc(c1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C21H19F3N2O3S/c1-26-17-8-12-5-6-16(25-12)19(17)15-9-14(10-18(27)20(15)26)30(28,29)13-4-2-3-11(7-13)21(22,23)24/h2-4,7,9-10,12,16,25,27H,5-6,8H2,1H3
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0.530n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104377
PNG
(US8575186, 140)
Show SMILES Cc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1cn(C)c2ccccc12 |THB:5:6:16:8.9,13:12:16:8.9|
Show InChI InChI=1S/C24H25N3O2S/c1-14-10-16(30(28,29)22-13-26(2)20-7-5-4-6-17(20)22)12-18-23-19-9-8-15(25-19)11-21(23)27(3)24(14)18/h4-7,10,12-13,15,19,25H,8-9,11H2,1-3H3
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0.560n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104458
PNG
(US8575186, 221/222 | US8575186, 238)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1cccc(F)c1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C21H21FN2O3S/c1-24-18-9-13-6-7-17(23-13)20(18)16-10-15(11-19(27-2)21(16)24)28(25,26)14-5-3-4-12(22)8-14/h3-5,8,10-11,13,17,23H,6-7,9H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104320
PNG
(US8575186, 228 | US8575186, 229 | US8575186, 83/21...)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccccc1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C21H22N2O3S/c1-23-18-10-13-8-9-17(22-13)20(18)16-11-15(12-19(26-2)21(16)23)27(24,25)14-6-4-3-5-7-14/h3-7,11-13,17,22H,8-10H2,1-2H3
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0.570n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104479
PNG
(US8575186, 242/243 | US8575186, 259)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccc(cc12)[N+]#[C-] |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C24H22N4O3S/c1-25-15-5-4-14-8-9-28(20(14)10-15)32(29,30)17-12-18-23-19-7-6-16(26-19)11-21(23)27(2)24(18)22(13-17)31-3/h4-5,8-10,12-13,16,19,26H,6-7,11H2,2-3H3
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0.580n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104302
PNG
(US8575186, 203 | US8575186, 204 | US8575186, 65/18...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(F)cc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20FN3O2S/c1-25-19-7-5-16(12-17(19)22-18-6-4-15(24-18)11-21(22)25)29(27,28)26-9-8-13-2-3-14(23)10-20(13)26/h2-3,5,7-10,12,15,18,24H,4,6,11H2,1H3
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0.590n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104464
PNG
(US8575186, 227)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4C)S(=O)(=O)c1ccccc1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C22H24N2O3S/c1-23-14-9-10-18(23)21-17-12-16(28(25,26)15-7-5-4-6-8-15)13-20(27-3)22(17)24(2)19(21)11-14/h4-8,12-14,18H,9-11H2,1-3H3
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0.680n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104299
PNG
(US8575186, 205 | US8575186, 206 | US8575186, 62/18...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-24-20-9-7-16(13-17(20)22-18-8-6-15(23-18)12-21(22)24)28(26,27)25-11-10-14-4-2-3-5-19(14)25/h2-5,7,9-11,13,15,18,23H,6,8,12H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104444
PNG
(US8575186, 207/208 | US8575186, 224)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(cc(O)c12)S(=O)(=O)c1cccc(Cl)c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C20H19ClN2O3S/c1-23-17-8-12-5-6-16(22-12)19(17)15-9-14(10-18(24)20(15)23)27(25,26)13-4-2-3-11(21)7-13/h2-4,7,9-10,12,16,22,24H,5-6,8H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104339
PNG
(US8575186, 102)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cn(Cc2ccccc2)c2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C29H27N3O2S/c1-31-25-14-12-21(16-23(25)29-24-13-11-20(30-24)15-27(29)31)35(33,34)28-18-32(17-19-7-3-2-4-8-19)26-10-6-5-9-22(26)28/h2-10,12,14,16,18,20,24,30H,11,13,15,17H2,1H3
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0.710n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104346
PNG
(US8575186, 109)
Show SMILES CCn1cc(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1 |THB:28:27:26:24.23,18:20:26:24.23|
Show InChI InChI=1S/C24H25N3O2S/c1-3-27-14-23(17-6-4-5-7-21(17)27)30(28,29)16-9-11-20-18(13-16)24-19-10-8-15(25-19)12-22(24)26(20)2/h4-7,9,11,13-15,19,25H,3,8,10,12H2,1-2H3
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0.720n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104438
PNG
(US8575186, 201/202 | US8575186, 218)
Show SMILES Cc1cn(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1 |THB:27:26:25:23.22,17:19:25:23.22|
Show InChI InChI=1S/C23H23N3O2S/c1-14-13-26(21-6-4-3-5-17(14)21)29(27,28)16-8-10-20-18(12-16)23-19-9-7-15(24-19)11-22(23)25(20)2/h3-6,8,10,12-13,15,19,24H,7,9,11H2,1-2H3
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0.720n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104335
PNG
(US8575186, 179 | US8575186, 180 | US8575186, 98/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104364
PNG
(US8575186, 127/199/200 | US8575186, 215 | US857518...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccc(cc12)[N+]#[C-] |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C23H20N4O2S/c1-24-15-4-3-14-9-10-27(21(14)11-15)30(28,29)17-6-8-20-18(13-17)23-19-7-5-16(25-19)12-22(23)26(20)2/h3-4,6,8-11,13,16,19,25H,5,7,12H2,2H3
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0.75n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104422
PNG
(US8575186, 185/186 | US8575186, 202)
Show SMILES CCN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:17:7:2:5.4,10:8:2:5.4|
Show InChI InChI=1S/C24H25N3O2S/c1-3-27-16-4-8-22(27)24-19-14-18(6-9-21(19)26(2)23(24)13-16)30(28,29)17-5-7-20-15(12-17)10-11-25-20/h5-7,9-12,14,16,22,25H,3-4,8,13H2,1-2H3
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0.770n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104446
PNG
(US8575186, 209/215/216 | US8575186, 231 | US857518...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(cc(O)c12)S(=O)(=O)c1cccc(c1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C21H19F3N2O3S/c1-26-17-8-12-5-6-16(25-12)19(17)15-9-14(10-18(27)20(15)26)30(28,29)13-4-2-3-11(7-13)21(22,23)24/h2-4,7,9-10,12,16,25,27H,5-6,8H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50365005
PNG
(CHEMBL1950777)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1
Show InChI InChI=1S/C23H23N3O2S/c1-25-13-22(16-5-3-4-6-19(16)25)29(27,28)15-8-10-20-17(12-15)23-18-9-7-14(24-18)11-21(23)26(20)2/h3-6,8,10,12-14,18,24H,7,9,11H2,1-2H3
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Article
PubMed
0.810n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104402
PNG
(US8575186, 165/166 | US8575186, 182)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1ccc2n(C)c3CC4CCC(N4)c3c2c1 |THB:27:26:25:23.22,17:19:25:23.22|
Show InChI InChI=1S/C23H23N3O2S/c1-25-13-22(16-5-3-4-6-19(16)25)29(27,28)15-8-10-20-17(12-15)23-18-9-7-14(24-18)11-21(23)26(20)2/h3-6,8,10,12-14,18,24H,7,9,11H2,1-2H3
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0.810n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50364978
PNG
(CHEMBL1950773)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)n1ccc2ccccc12
Show InChI InChI=1S/C22H21N3O2S/c1-24-20-9-7-16(13-17(20)22-18-8-6-15(23-18)12-21(22)24)28(26,27)25-11-10-14-4-2-3-5-19(14)25/h2-5,7,9-11,13,15,18,23H,6,8,12H2,1H3
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0.850n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
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