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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'yacovan' and Initial = 'a'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242438
PNG
(US9422235, 12)
Show SMILES COc1cc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C18H22N2O4S/c1-23-16-9-15(10-17(11-16)24-2)20-14-5-7-18(8-6-14)25(21,22)19-12-13-3-4-13/h5-11,13,19-20H,3-4,12H2,1-2H3
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6 -47.7 11n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242480
PNG
(US9422235, 58)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H23F3N2O2S/c19-18(20,21)15-9-14(23-16-8-12-3-4-13(16)7-12)5-6-17(15)26(24,25)22-10-11-1-2-11/h5-6,9,11-13,16,22-23H,1-4,7-8,10H2
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12.2 -45.9 20n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242430
PNG
(US9422235, 3)
Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H15Cl2F3N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
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17 -45.1 30n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242525
PNG
(US9422235, 110)
Show SMILES CC1(C)C2CC1(C)CC(C2)Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C21H29F3N2O2S/c1-19(2)14-8-16(11-20(19,3)10-14)26-15-6-7-18(17(9-15)21(22,23)24)29(27,28)25-12-13-4-5-13/h6-7,9,13-14,16,25-26H,4-5,8,10-12H2,1-3H3
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18.8 -44.8 37.2n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
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19 -44.8 37n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242504
PNG
(US9422235, 87)
Show SMILES FC(F)(F)c1cc(NC2CCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2
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23 -44.3 37n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242465
PNG
(US9422235, 41)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CCOCC1
Show InChI InChI=1S/C20H27F3N2O3S/c21-20(22,23)17-11-16(25-18-10-14-1-2-15(18)9-14)3-4-19(17)29(26,27)24-12-13-5-7-28-8-6-13/h3-4,11,13-15,18,24-25H,1-2,5-10,12H2
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28 -43.8 48.8n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242435
PNG
(US9422235, 9)
Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C18H17Cl2F3N2O3S/c19-11-3-5-16(15(20)8-11)25-12-4-6-17(14(9-12)18(21,22)23)29(26,27)24-10-13-2-1-7-28-13/h3-6,8-9,13,24-25H,1-2,7,10H2
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28 -43.8 50n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242467
PNG
(US9422235, 43)
Show SMILES FC(F)(F)c1cc(Nc2ccc(cc2Cl)C#N)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H15ClF3N3O2S/c19-15-7-12(9-23)3-5-16(15)25-13-4-6-17(14(8-13)18(20,21)22)28(26,27)24-10-11-1-2-11/h3-8,11,24-25H,1-2,10H2
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29 -43.7 50.2n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
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29 -43.7 56n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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29.2 -43.7 58.1n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242465
PNG
(US9422235, 41)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CCOCC1
Show InChI InChI=1S/C20H27F3N2O3S/c21-20(22,23)17-11-16(25-18-10-14-1-2-15(18)9-14)3-4-19(17)29(26,27)24-12-13-5-7-28-8-6-13/h3-4,11,13-15,18,24-25H,1-2,5-10,12H2
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32.4 -43.5 64.5n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242504
PNG
(US9422235, 87)
Show SMILES FC(F)(F)c1cc(NC2CCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C18H25F3N2O2S/c19-18(20,21)16-11-15(23-14-5-3-1-2-4-6-14)9-10-17(16)26(24,25)22-12-13-7-8-13/h9-11,13-14,22-23H,1-8,12H2
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33 -43.4 78n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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34 -43.3 76n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242465
PNG
(US9422235, 41)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CCOCC1
Show InChI InChI=1S/C20H27F3N2O3S/c21-20(22,23)17-11-16(25-18-10-14-1-2-15(18)9-14)3-4-19(17)29(26,27)24-12-13-5-7-28-8-6-13/h3-4,11,13-15,18,24-25H,1-2,5-10,12H2
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34.8 -43.3 53.1n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242450
PNG
(US9422235, 26)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C19H25F3N2O3S/c20-19(21,22)16-10-14(24-17-9-12-3-4-13(17)8-12)5-6-18(16)28(25,26)23-11-15-2-1-7-27-15/h5-6,10,12-13,15,17,23-24H,1-4,7-9,11H2
PDB

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36 -43.2 75n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242431
PNG
(US9422235, 4)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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37 -43.1 68n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242437
PNG
(US9422235, 11)
Show SMILES COc1cc(Nc2ccc(c(OC(F)(F)F)c2)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C19H21F3N2O5S/c1-27-15-7-14(8-16(10-15)28-2)24-13-5-6-18(17(9-13)29-19(20,21)22)30(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
PDB

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37 -43.1 72n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242435
PNG
(US9422235, 9)
Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C18H17Cl2F3N2O3S/c19-11-3-5-16(15(20)8-11)25-12-4-6-17(14(9-12)18(21,22)23)29(26,27)24-10-13-2-1-7-28-13/h3-6,8-9,13,24-25H,1-2,7,10H2
PDB

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38 -43.1 84n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242492
PNG
(US9422235, 73)
Show SMILES FC(F)(F)c1cc(Nc2cccnc2Cl)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C16H15ClF3N3O2S/c17-15-13(2-1-7-21-15)23-11-5-6-14(12(8-11)16(18,19)20)26(24,25)22-9-10-3-4-10/h1-2,5-8,10,22-23H,3-4,9H2
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43.3 -42.7 95.6n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242520
PNG
(US9422235, 105)
Show SMILES FC(F)(F)c1cc(NN2CCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H24F3N3O2S/c18-17(19,20)15-11-14(22-23-9-3-1-2-4-10-23)7-8-16(15)26(24,25)21-12-13-5-6-13/h7-8,11,13,21-22H,1-6,9-10,12H2
PDB

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49 -42.4 83.4n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
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53 -42.2 106n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242505
PNG
(US9422235, 88)
Show SMILES FC(F)(F)c1cc(NC2CCCCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C19H27F3N2O2S/c20-19(21,22)17-12-16(24-15-6-4-2-1-3-5-7-15)10-11-18(17)27(25,26)23-13-14-8-9-14/h10-12,14-15,23-24H,1-9,13H2
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56 -42.1 91n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242523
PNG
(US9422235, 108)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(NC2CCCCC2)cc1C(F)(F)F)C1CC1
Show InChI InChI=1S/C19H27F3N2O2S/c1-18(2,13-8-9-13)24-27(25,26)17-11-10-15(12-16(17)19(20,21)22)23-14-6-4-3-5-7-14/h10-14,23-24H,3-9H2,1-2H3
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58 -42.0 95n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242468
PNG
(US9422235, 44)
Show SMILES COc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(OC)c1
Show InChI InChI=1S/C19H21F3N2O4S/c1-27-14-6-7-16(17(10-14)28-2)24-13-5-8-18(15(9-13)19(20,21)22)29(25,26)23-11-12-3-4-12/h5-10,12,23-24H,3-4,11H2,1-2H3
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62 -41.8 109n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
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66 -41.7 132n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
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68 -41.6 132n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242493
PNG
(US9422235, 74)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F)C1CC1
Show InChI InChI=1S/C20H27F3N2O2S/c1-19(2,14-5-6-14)25-28(26,27)18-8-7-15(11-16(18)20(21,22)23)24-17-10-12-3-4-13(17)9-12/h7-8,11-14,17,24-25H,3-6,9-10H2,1-2H3
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69.2 -41.6 153n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242471
PNG
(US9422235, 47)
Show SMILES FC(F)(F)c1cc(Nc2ccc3OCCOc3c2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C19H19F3N2O4S/c20-19(21,22)15-9-13(4-6-18(15)29(25,26)23-11-12-1-2-12)24-14-3-5-16-17(10-14)28-8-7-27-16/h3-6,9-10,12,23-24H,1-2,7-8,11H2
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75.1 -41.3 138n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242509
PNG
(US9422235, 92 | US9422235, 96)
Show SMILES FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
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79 -41.2 135n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242509
PNG
(US9422235, 92 | US9422235, 96)
Show SMILES FC(F)(F)c1cc(NC2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H23F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h8-10,12-13,21-22H,1-7,11H2
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80 -41.2 143n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242445
PNG
(US9422235, 21)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)cc(OC)c1
Show InChI InChI=1S/C20H23F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h5-6,8-11,15,24-25H,3-4,7,12H2,1-2H3
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81 -41.2 180n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242456
PNG
(US9422235, 32)
Show SMILES CCCN(CC1CC1)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C19H27F3N2O3S/c1-2-9-24(13-14-5-6-14)15-7-8-18(17(11-15)19(20,21)22)28(25,26)23-12-16-4-3-10-27-16/h7-8,11,14,16,23H,2-6,9-10,12-13H2,1H3
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81 -41.2 181n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242433
PNG
(US9422235, 6)
Show SMILES COc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)cc1
Show InChI InChI=1S/C18H19F3N2O3S/c1-26-15-7-4-13(5-8-15)23-14-6-9-17(16(10-14)18(19,20)21)27(24,25)22-11-12-2-3-12/h4-10,12,22-23H,2-3,11H2,1H3
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84 -41.1 179n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242511
PNG
(US9422235, 94)
Show SMILES FC(F)(F)c1cc(NN2CCCCC2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C16H22F3N3O2S/c17-16(18,19)14-10-13(21-22-8-2-1-3-9-22)6-7-15(14)25(23,24)20-11-12-4-5-12/h6-7,10,12,20-21H,1-5,8-9,11H2
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85 -41.0 146n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242459
PNG
(US9422235, 35)
Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CCOCC1
Show InChI InChI=1S/C19H19Cl2F3N2O3S/c20-13-1-3-17(16(21)9-13)26-14-2-4-18(15(10-14)19(22,23)24)30(27,28)25-11-12-5-7-29-8-6-12/h1-4,9-10,12,25-26H,5-8,11H2
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87 -41.0 206n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242434
PNG
(US9422235, 7)
Show SMILES FC(F)(F)c1cc(Nc2ccccc2)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H17F3N2O2S/c18-17(19,20)15-10-14(22-13-4-2-1-3-5-13)8-9-16(15)25(23,24)21-11-12-6-7-12/h1-5,8-10,12,21-22H,6-7,11H2
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90 -40.9 198n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242438
PNG
(US9422235, 12)
Show SMILES COc1cc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C18H22N2O4S/c1-23-16-9-15(10-17(11-16)24-2)20-14-5-7-18(8-6-14)25(21,22)19-12-13-3-4-13/h5-11,13,19-20H,3-4,12H2,1-2H3
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97 -40.7 235n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242452
PNG
(US9422235, 28)
Show SMILES COc1cc(Nc2cc(Cl)c(c(Cl)c2)S(=O)(=O)NCC2CCCO2)cc(OC)c1
Show InChI InChI=1S/C19H22Cl2N2O5S/c1-26-15-6-12(7-16(10-15)27-2)23-13-8-17(20)19(18(21)9-13)29(24,25)22-11-14-4-3-5-28-14/h6-10,14,22-23H,3-5,11H2,1-2H3
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98 -40.7 221n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242443
PNG
(US9422235, 19)
Show SMILES COc1cc(Nc2cc(F)c(cc2F)S(=O)(=O)NCC2CCCO2)cc(OC)c1
Show InChI InChI=1S/C19H22F2N2O5S/c1-26-14-6-12(7-15(8-14)27-2)23-18-9-17(21)19(10-16(18)20)29(24,25)22-11-13-4-3-5-28-13/h6-10,13,22-23H,3-5,11H2,1-2H3
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113 -40.3 255n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242522
PNG
(US9422235, 107)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1C(F)(F)F)C1CC1
Show InChI InChI=1S/C18H26F3N3O2S/c1-17(2,13-6-7-13)23-27(25,26)16-9-8-14(12-15(16)18(19,20)21)22-24-10-4-3-5-11-24/h8-9,12-13,22-23H,3-7,10-11H2,1-2H3
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114 -40.3 187n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242460
PNG
(US9422235, 36)
Show SMILES Fc1ccc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)c(F)c1
Show InChI InChI=1S/C17H15F5N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
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131 -39.9 215n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242466
PNG
(US9422235, 42)
Show SMILES FC(F)(F)c1cc(NC2CC3CCC2C3)ccc1S(=O)(=O)NCc1ccco1
Show InChI InChI=1S/C19H21F3N2O3S/c20-19(21,22)16-10-14(24-17-9-12-3-4-13(17)8-12)5-6-18(16)28(25,26)23-11-15-2-1-7-27-15/h1-2,5-7,10,12-13,17,23-24H,3-4,8-9,11H2
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140 -39.8 245n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242446
PNG
(US9422235, 22)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCc2ccncc2)cc(OC)c1
Show InChI InChI=1S/C21H20F3N3O4S/c1-30-17-9-16(10-18(12-17)31-2)27-15-3-4-20(19(11-15)21(22,23)24)32(28,29)26-13-14-5-7-25-8-6-14/h3-12,26-27H,13H2,1-2H3
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146 -39.7 332n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242453
PNG
(US9422235, 29)
Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCc2ccco2)cc(OC)c1
Show InChI InChI=1S/C20H19F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h3-11,24-25H,12H2,1-2H3
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152 -39.6 344n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242521
PNG
(US9422235, 106)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(NN2CCCCCC2)cc1C(F)(F)F)C1CC1
Show InChI InChI=1S/C19H28F3N3O2S/c1-18(2,14-7-8-14)24-28(26,27)17-10-9-15(13-16(17)19(20,21)22)23-25-11-5-3-4-6-12-25/h9-10,13-14,23-24H,3-8,11-12H2,1-2H3
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156 -39.5 264n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242436
PNG
(US9422235, 10)
Show SMILES CCCCNS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C17H17Cl2F3N2O2S/c1-2-3-8-23-27(25,26)16-7-5-12(10-13(16)17(20,21)22)24-15-6-4-11(18)9-14(15)19/h4-7,9-10,23-24H,2-3,8H2,1H3
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168 -39.3 290n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242479
PNG
(US9422235, 57)
Show SMILES CN(CC1CC1)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C18H17Cl2F3N2O2S/c1-25(10-11-2-3-11)28(26,27)17-7-5-13(9-14(17)18(21,22)23)24-16-6-4-12(19)8-15(16)20/h4-9,11,24H,2-3,10H2,1H3
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175 -39.2 327n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM242430
PNG
(US9422235, 3)
Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C17H15Cl2F3N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2
PDB

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180 -39.1 313n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242503
PNG
(US9422235, 86)
Show SMILES CC(=O)N(CC1CC1)S(=O)(=O)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N2O3S/c1-12(26)25(11-13-2-3-13)29(27,28)19-7-6-16(10-17(19)20(21,22)23)24-18-9-14-4-5-15(18)8-14/h6-7,10,13-15,18,24H,2-5,8-9,11H2,1H3
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186 -39.1 431n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
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