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Patent code US11046651

Compile Data Set for Download or QSAR
Found 75 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506782
PNG
(US11046651, Compound 6)
Show SMILES Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26FN3O3/c1-15-4-6-17-19(12-15)30-20-13-16(24)5-7-18(20)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506788
PNG
(US11046651, Compound 9)
Show SMILES Cc1ccc2N=C(N3CCN(CC4(CC4)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H27N3O3/c1-16-3-5-18-20(13-16)30-21-14-17(2)4-6-19(21)25-22(18)27-11-9-26(10-12-27)15-24(7-8-24)23(28)29/h3-6,13-14H,7-12,15H2,1-2H3,(H,28,29)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506792
PNG
(US11046651, Compound 11)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccc(F)cc2Oc2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C22H23F2N3O3/c1-22(2,21(28)29)13-26-7-9-27(10-8-26)20-16-5-3-14(23)11-18(16)30-19-12-15(24)4-6-17(19)25-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506795
PNG
(US11046651, Compound 39)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Oc2cccc(F)c12)C(O)=O
Show InChI InChI=1S/C22H24FN3O3/c1-22(2,21(27)28)14-25-10-12-26(13-11-25)20-19-15(23)6-5-9-18(19)29-17-8-4-3-7-16(17)24-20/h3-9H,10-14H2,1-2H3,(H,27,28)
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ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506781
PNG
(US11046651, Compound 17)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(F)cc3Oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-15-4-7-18-20(12-15)30-19-13-16(24)5-6-17(19)21(25-18)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506772
PNG
(US11046651, Compound 1)
Show SMILES Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O3/c1-15-4-6-17-19(12-15)30-20-13-16(24)5-7-18(20)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506780
PNG
(US11046651, Compound 5)
Show SMILES CCCc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H30ClN3O3/c1-4-5-17-6-8-19-21(14-17)32-22-15-18(26)7-9-20(22)27-23(19)29-12-10-28(11-13-29)16-25(2,3)24(30)31/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,30,31)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506775
PNG
(US11046651, Compound 14)
Show SMILES CCc1ccc2c(Oc3cc(C)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H29N3O3/c1-3-18-5-6-19-21(15-18)31-22-14-17(2)4-7-20(22)26-23(19)28-12-10-27(11-13-28)16-25(8-9-25)24(29)30/h4-7,14-15H,3,8-13,16H2,1-2H3,(H,29,30)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506782
PNG
(US11046651, Compound 6)
Show SMILES Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26FN3O3/c1-15-4-6-17-19(12-15)30-20-13-16(24)5-7-18(20)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506798
PNG
(US11046651, Compound 29)
Show SMILES Cc1ccc2c(Oc3ccc(Cl)cc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O3/c1-15-4-6-17-20(12-15)30-19-7-5-16(24)13-18(19)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506793
PNG
(US11046651, Compound 38)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccccc3Cc2c1
Show InChI InChI=1S/C24H29N3O2/c1-17-8-9-21-19(14-17)15-18-6-4-5-7-20(18)22(25-21)27-12-10-26(11-13-27)16-24(2,3)23(28)29/h4-9,14H,10-13,15-16H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506777
PNG
(US11046651, Compound 15)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(cc3Oc2c1)C(F)F
Show InChI InChI=1S/C24H27F2N3O3/c1-15-4-7-18-20(12-15)32-19-13-16(21(25)26)5-6-17(19)22(27-18)29-10-8-28(9-11-29)14-24(2,3)23(30)31/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,30,31)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506785
PNG
(US11046651, Compound 19)
Show SMILES Cc1ccc2N=C(N3CCN(CC4(CC4)C(O)=O)CC3)c3ccc(F)cc3Oc2c1
Show InChI InChI=1S/C23H24FN3O3/c1-15-2-5-18-20(12-15)30-19-13-16(24)3-4-17(19)21(25-18)27-10-8-26(9-11-27)14-23(6-7-23)22(28)29/h2-5,12-13H,6-11,14H2,1H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506799
PNG
(US11046651, Compound 31)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2cc(F)ccc2Oc2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C22H23F2N3O3/c1-22(2,21(28)29)13-26-7-9-27(10-8-26)20-16-5-3-15(24)12-19(16)30-18-6-4-14(23)11-17(18)25-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506801
PNG
(US11046651, Compound 34)
Show SMILES Cc1ccc2Oc3ccc(Cl)cc3N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26ClN3O3/c1-15-4-6-19-17(12-15)21(25-18-13-16(24)5-7-20(18)30-19)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506772
PNG
(US11046651, Compound 1)
Show SMILES Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O3/c1-15-4-6-17-19(12-15)30-20-13-16(24)5-7-18(20)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506778
PNG
(US11046651, Compound 4)
Show SMILES CSc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O3S/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-6-5-16(31-3)13-19(17)30-20-12-15(24)4-7-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506783
PNG
(US11046651, Compound 18)
Show SMILES Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H24FN3O3/c1-15-2-4-17-19(12-15)30-20-13-16(24)3-5-18(20)25-21(17)27-10-8-26(9-11-27)14-23(6-7-23)22(28)29/h2-5,12-13H,6-11,14H2,1H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506790
PNG
(US11046651, Compound 10)
Show SMILES OC(=O)C1(CN2CCN(CC2)C2=Nc3ccc(F)cc3Oc3cc(F)ccc23)CC1
Show InChI InChI=1S/C22H21F2N3O3/c23-14-1-3-16-18(11-14)30-19-12-15(24)2-4-17(19)25-20(16)27-9-7-26(8-10-27)13-22(5-6-22)21(28)29/h1-4,11-12H,5-10,13H2,(H,28,29)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506778
PNG
(US11046651, Compound 4)
Show SMILES CSc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O3S/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-6-5-16(31-3)13-19(17)30-20-12-15(24)4-7-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506784
PNG
(US11046651, Compound 7)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H29N3O3/c1-16-5-7-18-20(13-16)30-21-14-17(2)6-8-19(21)25-22(18)27-11-9-26(10-12-27)15-24(3,4)23(28)29/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506790
PNG
(US11046651, Compound 10)
Show SMILES OC(=O)C1(CN2CCN(CC2)C2=Nc3ccc(F)cc3Oc3cc(F)ccc23)CC1
Show InChI InChI=1S/C22H21F2N3O3/c23-14-1-3-16-18(11-14)30-19-12-15(24)2-4-17(19)25-20(16)27-9-7-26(8-10-27)13-22(5-6-22)21(28)29/h1-4,11-12H,5-10,13H2,(H,28,29)
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ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506773
PNG
(US11046651, Compound 13)
Show SMILES Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H24ClN3O3/c1-15-2-4-17-19(12-15)30-20-13-16(24)3-5-18(20)25-21(17)27-10-8-26(9-11-27)14-23(6-7-23)22(28)29/h2-5,12-13H,6-11,14H2,1H3,(H,28,29)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506774
PNG
(US11046651, Compound 2)
Show SMILES CC(C)c1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H30ClN3O3/c1-16(2)17-5-7-19-21(13-17)32-22-14-18(26)6-8-20(22)27-23(19)29-11-9-28(10-12-29)15-25(3,4)24(30)31/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,30,31)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506781
PNG
(US11046651, Compound 17)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(F)cc3Oc2c1
Show InChI InChI=1S/C23H26FN3O3/c1-15-4-7-18-20(12-15)30-19-13-16(24)5-6-17(19)21(25-18)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506794
PNG
(US11046651, Compound 12)
Show SMILES OC(=O)C1(CN2CCN(CC2)C2=Nc3ccccc3Cc3ccccc23)CC1
Show InChI InChI=1S/C23H25N3O2/c27-22(28)23(9-10-23)16-25-11-13-26(14-12-25)21-19-7-3-1-5-17(19)15-18-6-2-4-8-20(18)24-21/h1-8H,9-16H2,(H,27,28)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506776
PNG
(US11046651, Compound 3)
Show SMILES CCc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C24H28ClN3O3/c1-4-16-5-7-18-20(13-16)31-21-14-17(25)6-8-19(21)26-22(18)28-11-9-27(10-12-28)15-24(2,3)23(29)30/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,29,30)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506800
PNG
(US11046651, Compound 33)
Show SMILES Cc1ccc2Oc3cc(ccc3C(=Nc2c1)N1CCN(CC(C)(C)C(O)=O)CC1)C(F)F
Show InChI InChI=1S/C24H27F2N3O3/c1-15-4-7-19-18(12-15)27-22(17-6-5-16(21(25)26)13-20(17)32-19)29-10-8-28(9-11-29)14-24(2,3)23(30)31/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,30,31)
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13n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506773
PNG
(US11046651, Compound 13)
Show SMILES Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H24ClN3O3/c1-15-2-4-17-19(12-15)30-20-13-16(24)3-5-18(20)25-21(17)27-10-8-26(9-11-27)14-23(6-7-23)22(28)29/h2-5,12-13H,6-11,14H2,1H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506797
PNG
(US11046651, Compound 28)
Show SMILES Cc1ccc2c(Oc3ccc(F)cc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26FN3O3/c1-15-4-6-17-20(12-15)30-19-7-5-16(24)13-18(19)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506774
PNG
(US11046651, Compound 2)
Show SMILES CC(C)c1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H30ClN3O3/c1-16(2)17-5-7-19-21(13-17)32-22-14-18(26)6-8-20(22)27-23(19)29-11-9-28(10-12-29)15-25(3,4)24(30)31/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,30,31)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506802
PNG
(US11046651, Compound 35)
Show SMILES COc1ccc2Oc3ccc(Cl)cc3N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26ClN3O4/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-13-16(30-3)5-7-19(17)31-20-6-4-15(24)12-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506785
PNG
(US11046651, Compound 19)
Show SMILES Cc1ccc2N=C(N3CCN(CC4(CC4)C(O)=O)CC3)c3ccc(F)cc3Oc2c1
Show InChI InChI=1S/C23H24FN3O3/c1-15-2-5-18-20(12-15)30-19-13-16(24)3-4-17(19)21(25-18)27-10-8-26(9-11-27)14-23(6-7-23)22(28)29/h2-5,12-13H,6-11,14H2,1H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506783
PNG
(US11046651, Compound 18)
Show SMILES Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H24FN3O3/c1-15-2-4-17-19(12-15)30-20-13-16(24)3-5-18(20)25-21(17)27-10-8-26(9-11-27)14-23(6-7-23)22(28)29/h2-5,12-13H,6-11,14H2,1H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506776
PNG
(US11046651, Compound 3)
Show SMILES CCc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C24H28ClN3O3/c1-4-16-5-7-18-20(13-16)31-21-14-17(25)6-8-19(21)26-22(18)28-11-9-27(10-12-28)15-24(2,3)23(29)30/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,29,30)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506789
PNG
(US11046651, Compound 21)
Show SMILES COc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26FN3O4/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-6-5-16(30-3)13-19(17)31-20-12-15(24)4-7-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506780
PNG
(US11046651, Compound 5)
Show SMILES CCCc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H30ClN3O3/c1-4-5-17-6-8-19-21(14-17)32-22-15-18(26)7-9-20(22)27-23(19)29-12-10-28(11-13-29)16-25(2,3)24(30)31/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,30,31)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506786
PNG
(US11046651, Compound 8)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H27N3O2/c1-23(2,22(27)28)16-25-11-13-26(14-12-25)21-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24-21/h3-10H,11-16H2,1-2H3,(H,27,28)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506787
PNG
(US11046651, Compound 20)
Show SMILES COc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O4/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-6-5-16(30-3)13-19(17)31-20-12-15(24)4-7-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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37.5n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506786
PNG
(US11046651, Compound 8)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H27N3O2/c1-23(2,22(27)28)16-25-11-13-26(14-12-25)21-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24-21/h3-10H,11-16H2,1-2H3,(H,27,28)
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46n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506786
PNG
(US11046651, Compound 8)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H27N3O2/c1-23(2,22(27)28)16-25-11-13-26(14-12-25)21-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24-21/h3-10H,11-16H2,1-2H3,(H,27,28)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506794
PNG
(US11046651, Compound 12)
Show SMILES OC(=O)C1(CN2CCN(CC2)C2=Nc3ccccc3Cc3ccccc23)CC1
Show InChI InChI=1S/C23H25N3O2/c27-22(28)23(9-10-23)16-25-11-13-26(14-12-25)21-19-7-3-1-5-17(19)15-18-6-2-4-8-20(18)24-21/h1-8H,9-16H2,(H,27,28)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506786
PNG
(US11046651, Compound 8)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H27N3O2/c1-23(2,22(27)28)16-25-11-13-26(14-12-25)21-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24-21/h3-10H,11-16H2,1-2H3,(H,27,28)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506791
PNG
(US11046651, Compound 37)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C23H26FN3O2/c1-23(2,22(28)29)15-26-9-11-27(12-10-26)21-19-8-7-18(24)14-17(19)13-16-5-3-4-6-20(16)25-21/h3-8,14H,9-13,15H2,1-2H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506793
PNG
(US11046651, Compound 38)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccccc3Cc2c1
Show InChI InChI=1S/C24H29N3O2/c1-17-8-9-21-19(14-17)15-18-6-4-5-7-20(18)22(25-21)27-12-10-26(11-13-27)16-24(2,3)23(28)29/h4-9,14H,10-13,15-16H2,1-3H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506787
PNG
(US11046651, Compound 20)
Show SMILES COc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O4/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-6-5-16(30-3)13-19(17)31-20-12-15(24)4-7-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506791
PNG
(US11046651, Compound 37)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C23H26FN3O2/c1-23(2,22(28)29)15-26-9-11-27(12-10-26)21-19-8-7-18(24)14-17(19)13-16-5-3-4-6-20(16)25-21/h3-8,14H,9-13,15H2,1-2H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506772
PNG
(US11046651, Compound 1)
Show SMILES Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClN3O3/c1-15-4-6-17-19(12-15)30-20-13-16(24)5-7-18(20)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506793
PNG
(US11046651, Compound 38)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccccc3Cc2c1
Show InChI InChI=1S/C24H29N3O2/c1-17-8-9-21-19(14-17)15-18-6-4-5-7-20(18)22(25-21)27-12-10-26(11-13-27)16-24(2,3)23(28)29/h4-9,14H,10-13,15-16H2,1-3H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506788
PNG
(US11046651, Compound 9)
Show SMILES Cc1ccc2N=C(N3CCN(CC4(CC4)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H27N3O3/c1-16-3-5-18-20(13-16)30-21-14-17(2)4-6-19(21)25-22(18)27-11-9-26(10-12-27)15-24(7-8-24)23(28)29/h3-6,13-14H,7-12,15H2,1-2H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506775
PNG
(US11046651, Compound 14)
Show SMILES CCc1ccc2c(Oc3cc(C)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H29N3O3/c1-3-18-5-6-19-21(15-18)31-22-14-17(2)4-7-20(22)26-23(19)28-12-10-27(11-13-28)16-25(8-9-25)24(29)30/h4-7,14-15H,3,8-13,16H2,1-2H3,(H,29,30)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506795
PNG
(US11046651, Compound 39)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Oc2cccc(F)c12)C(O)=O
Show InChI InChI=1S/C22H24FN3O3/c1-22(2,21(27)28)14-25-10-12-26(13-11-25)20-19-15(23)6-5-9-18(19)29-17-8-4-3-7-16(17)24-20/h3-9H,10-14H2,1-2H3,(H,27,28)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506779
PNG
(US11046651, Compound 16)
Show SMILES Cc1ccc2c(Oc3cc(ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)C(F)F)c1
Show InChI InChI=1S/C24H27F2N3O3/c1-15-4-6-17-19(12-15)32-20-13-16(21(25)26)5-7-18(20)27-22(17)29-10-8-28(9-11-29)14-24(2,3)23(30)31/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,30,31)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506777
PNG
(US11046651, Compound 15)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(cc3Oc2c1)C(F)F
Show InChI InChI=1S/C24H27F2N3O3/c1-15-4-7-18-20(12-15)32-19-13-16(21(25)26)5-6-17(19)22(27-18)29-10-8-28(9-11-29)14-24(2,3)23(30)31/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,30,31)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506789
PNG
(US11046651, Compound 21)
Show SMILES COc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26FN3O4/c1-23(2,22(28)29)14-26-8-10-27(11-9-26)21-17-6-5-16(30-3)13-19(17)31-20-12-15(24)4-7-18(20)25-21/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506791
PNG
(US11046651, Compound 37)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C23H26FN3O2/c1-23(2,22(28)29)15-26-9-11-27(12-10-26)21-19-8-7-18(24)14-17(19)13-16-5-3-4-6-20(16)25-21/h3-8,14H,9-13,15H2,1-2H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506792
PNG
(US11046651, Compound 11)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccc(F)cc2Oc2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C22H23F2N3O3/c1-22(2,21(28)29)13-26-7-9-27(10-8-26)20-16-5-3-14(23)11-18(16)30-19-12-15(24)4-6-17(19)25-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506784
PNG
(US11046651, Compound 7)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H29N3O3/c1-16-5-7-18-20(13-16)30-21-14-17(2)6-8-19(21)25-22(18)27-11-9-26(10-12-27)15-24(3,4)23(28)29/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506795
PNG
(US11046651, Compound 39)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Oc2cccc(F)c12)C(O)=O
Show InChI InChI=1S/C22H24FN3O3/c1-22(2,21(27)28)14-25-10-12-26(13-11-25)20-19-15(23)6-5-9-18(19)29-17-8-4-3-7-16(17)24-20/h3-9H,10-14H2,1-2H3,(H,27,28)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506782
PNG
(US11046651, Compound 6)
Show SMILES Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C23H26FN3O3/c1-15-4-6-17-19(12-15)30-20-13-16(24)5-7-18(20)25-21(17)27-10-8-26(9-11-27)14-23(2,3)22(28)29/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506784
PNG
(US11046651, Compound 7)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H29N3O3/c1-16-5-7-18-20(13-16)30-21-14-17(2)6-8-19(21)25-22(18)27-11-9-26(10-12-27)15-24(3,4)23(28)29/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,29)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506779
PNG
(US11046651, Compound 16)
Show SMILES Cc1ccc2c(Oc3cc(ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)C(F)F)c1
Show InChI InChI=1S/C24H27F2N3O3/c1-15-4-6-17-19(12-15)32-20-13-16(21(25)26)5-7-18(20)27-22(17)29-10-8-28(9-11-29)14-24(2,3)23(30)31/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,30,31)
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>50n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM506803
PNG
(3-(4-(2,8-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)...)
Show SMILES Cc1ccc2Oc3ccc(C)cc3C(=Nc2c1)C1CCN(CC(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C25H30N2O3/c1-16-5-7-21-19(13-16)23(26-20-14-17(2)6-8-22(20)30-21)18-9-11-27(12-10-18)15-25(3,4)24(28)29/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,28,29)
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60n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure and the reference compound (Table O) was transferred to an assay plate. 1 μL of droperidol was...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506786
PNG
(US11046651, Compound 8)
Show SMILES CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H27N3O2/c1-23(2,22(27)28)16-25-11-13-26(14-12-25)21-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24-21/h3-10H,11-16H2,1-2H3,(H,27,28)
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87n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM506796
PNG
(3-(4-(11H-dibenzo[b,e]azepin-6-yl)piperazin-1-yl)-...)
Show SMILES CC(CN1CCC(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H26N2O2/c1-16(23(26)27)15-25-12-10-17(11-13-25)22-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24-22/h2-9,16-17H,10-15H2,1H3,(H,26,27)
PDB

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104n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506804
PNG
(-(4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)p...)
Show SMILES Cc1ccc2N=C(C3CCN(CC(C)(C)C(O)=O)CC3)c3cc(C)ccc3Oc2c1
Show InChI InChI=1S/C25H30N2O3/c1-16-6-8-21-19(13-16)23(26-20-7-5-17(2)14-22(20)30-21)18-9-11-27(12-10-18)15-25(3,4)24(28)29/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,28,29)
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125n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM506804
PNG
(-(4-(2,7-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)p...)
Show SMILES Cc1ccc2N=C(C3CCN(CC(C)(C)C(O)=O)CC3)c3cc(C)ccc3Oc2c1
Show InChI InChI=1S/C25H30N2O3/c1-16-6-8-21-19(13-16)23(26-20-7-5-17(2)14-22(20)30-21)18-9-11-27(12-10-18)15-25(3,4)24(28)29/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,28,29)
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152n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure and the reference compound (Table O) was transferred to an assay plate. 1 μL of droperidol was...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506803
PNG
(3-(4-(2,8-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)...)
Show SMILES Cc1ccc2Oc3ccc(C)cc3C(=Nc2c1)C1CCN(CC(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C25H30N2O3/c1-16-5-7-21-19(13-16)23(26-20-14-17(2)6-8-22(20)30-21)18-9-11-27(12-10-18)15-25(3,4)24(28)29/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,28,29)
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265n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506806
PNG
(3-(4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-...)
Show SMILES CC(C)(CN1CCC(CC1)C1=Nc2ccccc2Oc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H26N2O3/c1-23(2,22(26)27)15-25-13-11-16(12-14-25)21-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)24-21/h3-10,16H,11-15H2,1-2H3,(H,26,27)
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680n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506805
PNG
(3-(4-(3,8-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)...)
Show SMILES Cc1ccc2c(Oc3ccc(C)cc3N=C2C2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H30N2O3/c1-16-6-8-21-20(13-16)26-23(19-7-5-17(2)14-22(19)30-21)18-9-11-27(12-10-18)15-25(3,4)24(28)29/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,28,29)
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772n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM506796
PNG
(3-(4-(11H-dibenzo[b,e]azepin-6-yl)piperazin-1-yl)-...)
Show SMILES CC(CN1CCC(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H26N2O2/c1-16(23(26)27)15-25-12-10-17(11-13-25)22-20-8-4-2-6-18(20)14-19-7-3-5-9-21(19)24-22/h2-9,16-17H,10-15H2,1H3,(H,26,27)
PDB
MMDB

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1.38E+3n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μl of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 μl of 0.2 mM Keta...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM506805
PNG
(3-(4-(3,8-dimethyldibenzo[b,f][1,4]oxazepin-11-yl)...)
Show SMILES Cc1ccc2c(Oc3ccc(C)cc3N=C2C2CCN(CC(C)(C)C(O)=O)CC2)c1
Show InChI InChI=1S/C25H30N2O3/c1-16-6-8-21-20(13-16)26-23(19-7-5-17(2)14-22(19)30-21)18-9-11-27(12-10-18)15-25(3,4)24(28)29/h5-8,13-14,18H,9-12,15H2,1-4H3,(H,28,29)
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1.90E+3n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure and the reference compound (Table O) was transferred to an assay plate. 1 μL of droperidol was...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM506784
PNG
(US11046651, Compound 7)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H29N3O3/c1-16-5-7-18-20(13-16)30-21-14-17(2)6-8-19(21)25-22(18)27-11-9-26(10-12-27)15-24(3,4)23(28)29/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,29)
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2.22E+3n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 μL of 0.2 mM SB-206533 w...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM506806
PNG
(3-(4-(dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-...)
Show SMILES CC(C)(CN1CCC(CC1)C1=Nc2ccccc2Oc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H26N2O3/c1-23(2,22(26)27)15-25-13-11-16(12-14-25)21-17-7-3-5-9-19(17)28-20-10-6-4-8-18(20)24-21/h3-10,16H,11-15H2,1-2H3,(H,26,27)
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2.87E+3n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure and the reference compound (Table O) was transferred to an assay plate. 1 μL of droperidol was...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM506784
PNG
(US11046651, Compound 7)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1
Show InChI InChI=1S/C24H29N3O3/c1-16-5-7-18-20(13-16)30-21-14-17(2)6-8-19(21)25-22(18)27-11-9-26(10-12-27)15-24(3,4)23(28)29/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,29)
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>5.00E+4n/an/an/an/an/an/an/an/a



ALAIRION, INC.

US Patent


Assay Description
1 μL of a compound of the present disclosure and the reference compound (Table O) was transferred to an assay plate. 1 μL of droperidol was...


US Patent US11046651 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%