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Compile Data Set for Download or QSAR

Found 53 hits of ki data for polymerid = 6564   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136352
PNG
(US8859534, 38)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C27H32N4O3/c1-19(32)31-12-10-21-17-20(7-8-23(21)31)9-11-29-13-15-30(16-14-29)24-6-4-5-22-18-25(34-26(22)24)27(33)28(2)3/h4-8,17-18H,9-16H2,1-3H3
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0.0640n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136326
PNG
(US8859534, 12)
Show SMILES CNC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C21H24N4O2/c1-22-21(26)19-15-16-5-4-7-18(20(16)27-19)25-13-11-24(12-14-25)10-8-17-6-2-3-9-23-17/h2-7,9,15H,8,10-14H2,1H3,(H,22,26)
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0.110n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136354
PNG
(US8859534, 40)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(C)cn4)CC3)c2o1
Show InChI InChI=1S/C23H28N4O2/c1-17-7-8-19(24-16-17)9-10-26-11-13-27(14-12-26)20-6-4-5-18-15-21(29-22(18)20)23(28)25(2)3/h4-8,15-16H,9-14H2,1-3H3
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0.140n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136317
PNG
(US8859534, 3)
Show SMILES O=C(NC1CCN(CC1)c1ccccc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C31H35N5O2/c37-31(33-26-13-17-35(18-14-26)27-9-2-1-3-10-27)29-23-24-7-6-11-28(30(24)38-29)36-21-19-34(20-22-36)16-12-25-8-4-5-15-32-25/h1-11,15,23,26H,12-14,16-22H2,(H,33,37)
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0.140n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136362
PNG
(US8859534, 48)
Show SMILES COc1cccnc1CCN1CCN(CC1)c1cccc2cc(oc12)C(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3/c1-25(2)23(28)21-16-17-6-4-7-19(22(17)30-21)27-14-12-26(13-15-27)11-9-18-20(29-3)8-5-10-24-18/h4-8,10,16H,9,11-15H2,1-3H3
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0.160n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136325
PNG
(US8859534, 11)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C22H26N4O2/c1-24(2)22(27)20-16-17-6-5-8-19(21(17)28-20)26-14-12-25(13-15-26)11-9-18-7-3-4-10-23-18/h3-8,10,16H,9,11-15H2,1-2H3
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0.160n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136363
PNG
(US8859534, 49)
Show SMILES CC(=O)N1CCc2cc(CCN3CCN(CC3)c3cccc4cc(oc34)C(=O)N3CCC3)ccc12
Show InChI InChI=1S/C28H32N4O3/c1-20(33)32-13-9-22-18-21(6-7-24(22)32)8-12-29-14-16-30(17-15-29)25-5-2-4-23-19-26(35-27(23)25)28(34)31-10-3-11-31/h2,4-7,18-19H,3,8-17H2,1H3
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0.160n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136318
PNG
(US8859534, 4)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Show InChI InChI=1S/C28H30N4O4S/c1-37(34,35)24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)36-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
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0.200n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136361
PNG
(US8859534, 47)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1
Show InChI InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-4-3-5-19(21(16)29-20)27-12-10-26(11-13-27)9-8-18-7-6-17(23)15-24-18/h3-7,14-15H,8-13H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136351
PNG
(US8859534, 37)
Show SMILES Oc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C27H28N4O3/c32-23-8-3-5-20(17-23)19-29-27(33)25-18-21-6-4-9-24(26(21)34-25)31-15-13-30(14-16-31)12-10-22-7-1-2-11-28-22/h1-9,11,17-18,32H,10,12-16,19H2,(H,29,33)
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0.230n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136365
PNG
(US8859534, 51)
Show SMILES CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C27H31FN4O3/c1-18(33)32-9-7-20-14-19(4-5-23(20)32)6-8-30-10-12-31(13-11-30)24-17-22(28)15-21-16-25(35-26(21)24)27(34)29(2)3/h4-5,14-17H,6-13H2,1-3H3
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0.230n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136322
PNG
(US8859534, 8)
Show SMILES Clc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C30H33ClN6O2/c31-25-7-4-13-33-29(25)37-15-10-24(11-16-37)34-30(38)27-21-22-5-3-8-26(28(22)39-27)36-19-17-35(18-20-36)14-9-23-6-1-2-12-32-23/h1-8,12-13,21,24H,9-11,14-20H2,(H,34,38)
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0.290n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136353
PNG
(US8859534, 39)
Show SMILES COc1ccnc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)c1
Show InChI InChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-5-4-6-20(22(17)30-21)27-13-11-26(12-14-27)10-8-18-16-19(29-3)7-9-24-18/h4-7,9,15-16H,8,10-14H2,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136357
PNG
(US8859534, 43)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(cn4)C(C)=O)CC3)c2o1
Show InChI InChI=1S/C24H28N4O3/c1-17(29)19-7-8-20(25-16-19)9-10-27-11-13-28(14-12-27)21-6-4-5-18-15-22(31-23(18)21)24(30)26(2)3/h4-8,15-16H,9-14H2,1-3H3
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0.330n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136359
PNG
(US8859534, 45)
Show SMILES COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1
Show InChI InChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136367
PNG
(US8859534, 53)
Show SMILES CN(C)C(=O)c1cc2c(Br)ccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C22H25BrN4O2/c1-25(2)22(28)20-15-17-18(23)6-7-19(21(17)29-20)27-13-11-26(12-14-27)10-8-16-5-3-4-9-24-16/h3-7,9,15H,8,10-14H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136324
PNG
(US8859534, 10)
Show SMILES O=C(NCc1ccc2OCOc2c1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H28N4O4/c33-28(30-18-20-7-8-24-25(16-20)35-19-34-24)26-17-21-4-3-6-23(27(21)36-26)32-14-12-31(13-15-32)11-9-22-5-1-2-10-29-22/h1-8,10,16-17H,9,11-15,18-19H2,(H,30,33)
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0.380n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136338
PNG
(US8859534, 24)
Show SMILES COc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C31H36N6O3/c1-39-27-9-5-14-33-30(27)37-16-11-25(12-17-37)34-31(38)28-22-23-6-4-8-26(29(23)40-28)36-20-18-35(19-21-36)15-10-24-7-2-3-13-32-24/h2-9,13-14,22,25H,10-12,15-21H2,1H3,(H,34,38)
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0.420n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136364
PNG
(US8859534, 50)
Show SMILES CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C22H25FN4O2/c1-25(2)22(28)20-14-16-13-17(23)15-19(21(16)29-20)27-11-9-26(10-12-27)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136323
PNG
(US8859534, 9)
Show SMILES O=C(NCc1ccc(cc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H27N5O2/c29-19-21-7-9-22(10-8-21)20-31-28(34)26-18-23-4-3-6-25(27(23)35-26)33-16-14-32(15-17-33)13-11-24-5-1-2-12-30-24/h1-10,12,18H,11,13-17,20H2,(H,31,34)
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0.440n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136327
PNG
(US8859534, 13)
Show SMILES O=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C23H26N4O2/c28-23(25-19-7-8-19)21-16-17-4-3-6-20(22(17)29-21)27-14-12-26(13-15-27)11-9-18-5-1-2-10-24-18/h1-6,10,16,19H,7-9,11-15H2,(H,25,28)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136321
PNG
(US8859534, 7)
Show SMILES CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccccn1
Show InChI InChI=1S/C27H29N5O2/c1-20(23-9-3-5-13-29-23)30-27(33)25-19-21-7-6-10-24(26(21)34-25)32-17-15-31(16-18-32)14-11-22-8-2-4-12-28-22/h2-10,12-13,19-20H,11,14-18H2,1H3,(H,30,33)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136356
PNG
(US8859534, 42)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(n4)C(F)(F)F)CC3)c2o1
Show InChI InChI=1S/C23H25F3N4O2/c1-28(2)22(31)19-15-16-5-3-7-18(21(16)32-19)30-13-11-29(12-14-30)10-9-17-6-4-8-20(27-17)23(24,25)26/h3-8,15H,9-14H2,1-2H3
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136330
PNG
(US8859534, 16)
Show SMILES O=C(N1CCCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C24H28N4O2/c29-24(28-11-3-4-12-28)22-18-19-6-5-8-21(23(19)30-22)27-16-14-26(15-17-27)13-9-20-7-1-2-10-25-20/h1-2,5-8,10,18H,3-4,9,11-17H2
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136342
PNG
(US8859534, 28)
Show SMILES COc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-10-8-21(9-11-24)20-30-28(33)26-19-22-5-4-7-25(27(22)35-26)32-17-15-31(16-18-32)14-12-23-6-2-3-13-29-23/h2-11,13,19H,12,14-18,20H2,1H3,(H,30,33)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136340
PNG
(US8859534, 26)
Show SMILES COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C28H30N4O3/c1-34-24-9-4-6-21(18-24)20-30-28(33)26-19-22-7-5-10-25(27(22)35-26)32-16-14-31(15-17-32)13-11-23-8-2-3-12-29-23/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,30,33)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136336
PNG
(US8859534, 22)
Show SMILES O=C(NCc1cccc(c1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H27N5O2/c29-19-21-5-3-6-22(17-21)20-31-28(34)26-18-23-7-4-9-25(27(23)35-26)33-15-13-32(14-16-33)12-10-24-8-1-2-11-30-24/h1-9,11,17-18H,10,12-16,20H2,(H,31,34)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136333
PNG
(US8859534, 19)
Show SMILES CN(Cc1cccc(c1)S(C)(=O)=O)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C29H32N4O4S/c1-31(21-22-7-5-10-25(19-22)38(2,35)36)29(34)27-20-23-8-6-11-26(28(23)37-27)33-17-15-32(16-18-33)14-12-24-9-3-4-13-30-24/h3-11,13,19-20H,12,14-18,21H2,1-2H3
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136334
PNG
(US8859534, 20)
Show SMILES O=C(NCc1ccc(nc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C27H26N6O2/c28-17-23-8-7-20(18-30-23)19-31-27(34)25-16-21-4-3-6-24(26(21)35-25)33-14-12-32(13-15-33)11-9-22-5-1-2-10-29-22/h1-8,10,16,18H,9,11-15,19H2,(H,31,34)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136344
PNG
(US8859534, 30)
Show SMILES Cn1cnc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C26H30N6O2/c1-30-18-22(29-19-30)8-11-28-26(33)24-17-20-5-4-7-23(25(20)34-24)32-15-13-31(14-16-32)12-9-21-6-2-3-10-27-21/h2-7,10,17-19H,8-9,11-16H2,1H3,(H,28,33)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136332
PNG
(US8859534, 18)
Show SMILES COc1cccc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C29H32N4O3/c1-35-25-9-4-6-22(20-25)11-14-31-29(34)27-21-23-7-5-10-26(28(23)36-27)33-18-16-32(17-19-33)15-12-24-8-2-3-13-30-24/h2-10,13,20-21H,11-12,14-19H2,1H3,(H,31,34)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136360
PNG
(US8859534, 46)
Show SMILES COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)n1
Show InChI InChI=1S/C23H28N4O3/c1-25(2)23(28)20-16-17-6-4-8-19(22(17)30-20)27-14-12-26(13-15-27)11-10-18-7-5-9-21(24-18)29-3/h4-9,16H,10-15H2,1-3H3
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136355
PNG
(US8859534, 41)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cc(ccn4)C#N)CC3)c2o1
Show InChI InChI=1S/C23H25N5O2/c1-26(2)23(29)21-15-18-4-3-5-20(22(18)30-21)28-12-10-27(11-13-28)9-7-19-14-17(16-24)6-8-25-19/h3-6,8,14-15H,7,9-13H2,1-2H3
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136316
PNG
(US8859534, 2)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C30H33N5O3/c36-30(32-25-7-9-26(10-8-25)34-18-20-37-21-19-34)28-22-23-4-3-6-27(29(23)38-28)35-16-14-33(15-17-35)13-11-24-5-1-2-12-31-24/h1-10,12,22H,11,13-21H2,(H,32,36)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136315
PNG
(US8859534, 1)
Show SMILES O=C(NCc1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C26H27N5O2/c32-26(29-19-22-8-2-4-12-28-22)24-18-20-6-5-9-23(25(20)33-24)31-16-14-30(15-17-31)13-10-21-7-1-3-11-27-21/h1-9,11-12,18H,10,13-17,19H2,(H,29,32)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136329
PNG
(US8859534, 15)
Show SMILES O=C(N1CCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C23H26N4O2/c28-23(27-10-4-11-27)21-17-18-5-3-7-20(22(18)29-21)26-15-13-25(14-16-26)12-8-19-6-1-2-9-24-19/h1-3,5-7,9,17H,4,8,10-16H2
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136345
PNG
(US8859534, 31)
Show SMILES O=C(NCC1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C26H32N4O3/c31-26(28-19-20-8-16-32-17-9-20)24-18-21-4-3-6-23(25(21)33-24)30-14-12-29(13-15-30)11-7-22-5-1-2-10-27-22/h1-6,10,18,20H,7-9,11-17,19H2,(H,28,31)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136350
PNG
(US8859534, 36)
Show SMILES O=C(N1CC(C1)Oc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H29N5O3/c34-28(33-19-24(20-33)35-23-7-4-10-29-18-23)26-17-21-5-3-8-25(27(21)36-26)32-15-13-31(14-16-32)12-9-22-6-1-2-11-30-22/h1-8,10-11,17-18,24H,9,12-16,19-20H2
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136331
PNG
(US8859534, 17)
Show SMILES CS(=O)(=O)Cc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Show InChI InChI=1S/C29H32N4O4S/c1-38(35,36)21-23-10-8-22(9-11-23)20-31-29(34)27-19-24-5-4-7-26(28(24)37-27)33-17-15-32(16-18-33)14-12-25-6-2-3-13-30-25/h2-11,13,19H,12,14-18,20-21H2,1H3,(H,31,34)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136349
PNG
(US8859534, 35)
Show SMILES O=C(NCc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C26H27N5O2/c32-26(29-19-20-5-4-10-27-18-20)24-17-21-6-3-8-23(25(21)33-24)31-15-13-30(14-16-31)12-9-22-7-1-2-11-28-22/h1-8,10-11,17-18H,9,12-16,19H2,(H,29,32)
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US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136343
PNG
(US8859534, 29)
Show SMILES Cc1ccnc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)n1
Show InChI InChI=1S/C27H30N6O2/c1-20-8-12-29-25(31-20)9-13-30-27(34)24-19-21-5-4-7-23(26(21)35-24)33-17-15-32(16-18-33)14-10-22-6-2-3-11-28-22/h2-8,11-12,19H,9-10,13-18H2,1H3,(H,30,34)
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2n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136347
PNG
(US8859534, 33)
Show SMILES CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccc(C)nc1
Show InChI InChI=1S/C28H31N5O2/c1-20-9-10-23(19-30-20)21(2)31-28(34)26-18-22-6-5-8-25(27(22)35-26)33-16-14-32(15-17-33)13-11-24-7-3-4-12-29-24/h3-10,12,18-19,21H,11,13-17H2,1-2H3,(H,31,34)
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2.10n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136319
PNG
(US8859534, 5)
Show SMILES Cn1cnc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
Show InChI InChI=1S/C25H28N6O2/c1-29-17-21(28-18-29)16-27-25(32)23-15-19-5-4-7-22(24(19)33-23)31-13-11-30(12-14-31)10-8-20-6-2-3-9-26-20/h2-7,9,15,17-18H,8,10-14,16H2,1H3,(H,27,32)
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2.20n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136341
PNG
(US8859534, 27)
Show SMILES O=C(NC1(CC1)c1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C28H29N5O2/c34-27(31-28(11-12-28)25-9-2-4-14-30-25)24-20-21-6-5-8-23(26(21)35-24)33-18-16-32(17-19-33)15-10-22-7-1-3-13-29-22/h1-9,13-14,20H,10-12,15-19H2,(H,31,34)
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2.30n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136335
PNG
(US8859534, 21)
Show SMILES CN(Cc1cccnc1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C27H29N5O2/c1-30(20-21-6-5-11-28-19-21)27(33)25-18-22-7-4-9-24(26(22)34-25)32-16-14-31(15-17-32)13-10-23-8-2-3-12-29-23/h2-9,11-12,18-19H,10,13-17,20H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136366
PNG
(US8859534, 52)
Show SMILES COc1cc(N2CCN(CCc3ccccn3)CC2)c2oc(cc2c1)C(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3/c1-25(2)23(28)21-15-17-14-19(29-3)16-20(22(17)30-21)27-12-10-26(11-13-27)9-7-18-6-4-5-8-24-18/h4-6,8,14-16H,7,9-13H2,1-3H3
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2.80n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136339
PNG
(US8859534, 25)
Show SMILES CN(Cc1ccccn1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C27H29N5O2/c1-30(20-23-9-3-5-13-29-23)27(33)25-19-21-7-6-10-24(26(21)34-25)32-17-15-31(16-18-32)14-11-22-8-2-4-12-28-22/h2-10,12-13,19H,11,14-18,20H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136328
PNG
(US8859534, 14)
Show SMILES FC1(F)CC(C1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Show InChI InChI=1S/C24H26F2N4O2/c25-24(26)15-19(16-24)28-23(31)21-14-17-4-3-6-20(22(17)32-21)30-12-10-29(11-13-30)9-7-18-5-1-2-8-27-18/h1-6,8,14,19H,7,9-13,15-16H2,(H,28,31)
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3.30n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136358
PNG
(US8859534, 44)
Show SMILES CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(NC(C)=O)cn4)CC3)c2o1
Show InChI InChI=1S/C24H29N5O3/c1-17(30)26-20-8-7-19(25-16-20)9-10-28-11-13-29(14-12-28)21-6-4-5-18-15-22(32-23(18)21)24(31)27(2)3/h4-8,15-16H,9-14H2,1-3H3,(H,26,30)
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3.70n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Cricetulus griseus (Chinese hamster) (Cricetulus b...)
BDBM136348
PNG
(US8859534, 34)
Show SMILES Cc1ncc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cn1
Show InChI InChI=1S/C26H28N6O2/c1-19-28-16-20(17-29-19)18-30-26(33)24-15-21-5-4-7-23(25(21)34-24)32-13-11-31(12-14-32)10-8-22-6-2-3-9-27-22/h2-7,9,15-17H,8,10-14,18H2,1H3,(H,30,33)
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3.80n/an/an/an/an/an/an/an/a



Acturum Life Science AB

US Patent


Assay Description
Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal...


US Patent US8859534 (2014)


BindingDB Entry DOI: 10.7270/Q23R0RKV
More data for this
Ligand-Target Pair
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