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Patent code US10112934

Compile Data Set for Download or QSAR
Found 40 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295664
PNG
(Example 7 in WO2010036630)
Show SMILES CC(F)(F)CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C16H26F2N2O5S/c1-14(2,10-21)11-9-12(25-20-11)19-13(22)15(3,4)26(23,24)8-6-7-16(5,17)18/h9,21H,6-8,10H2,1-5H3,(H,19,22)
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n/an/an/an/a 15n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295701
PNG
(Example 30 in WO2010147792)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1nnc(s1)C(C)(C)CO
Show InChI InChI=1S/C17H30N4O3S/c1-16(2,11-22)14-19-20-15(25-14)18-13(23)17(3,4)21(5)10-12-6-8-24-9-7-12/h12,22H,6-11H2,1-5H3,(H,18,20,23)
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n/an/an/an/a 1.20E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295673
PNG
(US10112934, Example 2)
Show SMILES CC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C17H25N3O5S/c1-16(2,11-18)13-9-14(25-20-13)19-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H,19,21)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295689
PNG
(US10112934, Example 3)
Show SMILES CC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H23N3O5S/c1-15(2,10-17)12-9-13(24-19-12)18-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11H,5-8H2,1-4H3,(H,18,20)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295695
PNG
(Example 7 in WO2010147792)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C18H31N3O4/c1-17(2,12-22)14-10-15(25-20-14)19-16(23)18(3,4)21(5)11-13-6-8-24-9-7-13/h10,13,22H,6-9,11-12H2,1-5H3,(H,19,23)
PDB

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n/an/an/an/a 45n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295698
PNG
(US10112934, Example 6)
Show SMILES CC(C)(C#N)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
Show InChI InChI=1S/C17H24N4O3/c1-17(2,11-18)14-10-15(24-20-14)19-16(22)13-4-3-7-21(13)12-5-8-23-9-6-12/h10,12-13H,3-9H2,1-2H3,(H,19,22)/t13-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50042659
PNG
(CHEMBL3353870 | Example 190 in WO2010077836)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1
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Similars

US Patent
n/an/an/an/a 438n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295700
PNG
(US10112934, Example 7)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1nnc(s1)C(C)(C)C#N
Show InChI InChI=1S/C17H27N5O2S/c1-16(2,11-18)14-20-21-15(25-14)19-13(23)17(3,4)22(5)10-12-6-8-24-9-7-12/h12H,6-10H2,1-5H3,(H,19,21,23)
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n/an/an/an/a 25n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295701
PNG
(Example 30 in WO2010147792)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1nnc(s1)C(C)(C)CO
Show InChI InChI=1S/C17H30N4O3S/c1-16(2,11-22)14-19-20-15(25-14)18-13(23)17(3,4)21(5)10-12-6-8-24-9-7-12/h12,22H,6-11H2,1-5H3,(H,18,20,23)
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n/an/an/an/a 5.40n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295674
PNG
(Example 1 in WO2010036630)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C17H28N2O6S/c1-16(2,11-20)13-9-14(25-19-13)18-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12,20H,5-8,10-11H2,1-4H3,(H,18,21)
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n/an/an/an/a 88n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295674
PNG
(Example 1 in WO2010036630)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C17H28N2O6S/c1-16(2,11-20)13-9-14(25-19-13)18-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12,20H,5-8,10-11H2,1-4H3,(H,18,21)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295688
PNG
(Example 17 in WO2010036630)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C18H30N2O6S/c1-17(2,12-24-5)14-10-15(26-20-14)19-16(21)18(3,4)27(22,23)11-13-6-8-25-9-7-13/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)
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n/an/an/an/a 30n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295692
PNG
(Example 133 in WO2010036630)
Show SMILES CC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C15H24N2O6S/c1-14(2,19)11-9-12(23-17-11)16-13(18)15(3,4)24(20,21)10-5-7-22-8-6-10/h9-10,19H,5-8H2,1-4H3,(H,16,18)
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n/an/an/an/a 140n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295672
PNG
(Example 134 in WO2010036630)
Show SMILES CC(F)(F)CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)O
Show InChI InChI=1S/C15H24F2N2O5S/c1-13(2,21)10-9-11(24-19-10)18-12(20)14(3,4)25(22,23)8-6-7-15(5,16)17/h9,21H,6-8H2,1-5H3,(H,18,20)
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n/an/an/an/a 49n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295673
PNG
(US10112934, Example 2)
Show SMILES CC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C17H25N3O5S/c1-16(2,11-18)13-9-14(25-20-13)19-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12H,5-8,10H2,1-4H3,(H,19,21)
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n/an/an/an/a 104n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295693
PNG
(US10112934, Example 4)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H28N4O3/c1-17(2,12-19)14-10-15(25-21-14)20-16(23)18(3,4)22(5)11-13-6-8-24-9-7-13/h10,13H,6-9,11H2,1-5H3,(H,20,23)
PDB

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n/an/an/an/a 220n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295689
PNG
(US10112934, Example 3)
Show SMILES CC(C)(C#N)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H23N3O5S/c1-15(2,10-17)12-9-13(24-19-12)18-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11H,5-8H2,1-4H3,(H,18,20)
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n/an/an/an/a 8n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295694
PNG
(Example 46 in WO2010147792)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
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n/an/an/an/a 923n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295696
PNG
(US10112934, Example 5)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
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n/an/an/an/a 251n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295697
PNG
(Example 47 in WO2010147792)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C18H32N4O5S/c1-17(2,12-23)14-11-15(27-20-14)19-16(24)18(3,4)21(5)13-7-9-22(10-8-13)28(6,25)26/h11,13,23H,7-10,12H2,1-6H3,(H,19,24)
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n/an/an/an/a 0.850n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295698
PNG
(US10112934, Example 6)
Show SMILES CC(C)(C#N)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
Show InChI InChI=1S/C17H24N4O3/c1-17(2,11-18)14-10-15(24-20-14)19-16(22)13-4-3-7-21(13)12-5-8-23-9-6-12/h10,12-13H,3-9H2,1-2H3,(H,19,22)/t13-/m0/s1
PDB

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n/an/an/an/a 8.70E+4n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295702
PNG
(US10112934, Example 8)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1nnc(s1)C(C)(C)C#N
Show InChI InChI=1S/C17H28N6O3S2/c1-16(2,11-18)14-20-21-15(27-14)19-13(24)17(3,4)22(5)12-7-9-23(10-8-12)28(6,25)26/h12H,7-10H2,1-6H3,(H,19,21,24)
PDB

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n/an/an/an/a 6.90E+4n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006447
PNG
(CHEMBL3234702 | Example 2 in WO2010036630)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
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n/an/an/an/a 11n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295691
PNG
(Example 38 in WO2010036630)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C17H28N2O6S/c1-16(2,11-23-5)13-10-14(25-19-13)18-15(20)17(3,4)26(21,22)12-6-8-24-9-7-12/h10,12H,6-9,11H2,1-5H3,(H,18,20)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295695
PNG
(Example 7 in WO2010147792)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C18H31N3O4/c1-17(2,12-22)14-10-15(25-20-14)19-16(23)18(3,4)21(5)11-13-6-8-24-9-7-13/h10,13,22H,6-9,11-12H2,1-5H3,(H,19,23)
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n/an/an/an/a 0.680n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295696
PNG
(US10112934, Example 5)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
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n/an/an/an/a 0.230n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295663
PNG
(US10112934, Example 1)
Show SMILES CC(F)(F)CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C16H23F2N3O4S/c1-14(2,10-19)11-9-12(25-21-11)20-13(22)15(3,4)26(23,24)8-6-7-16(5,17)18/h9H,6-8H2,1-5H3,(H,20,22)
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n/an/an/an/a 1.04E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295672
PNG
(Example 134 in WO2010036630)
Show SMILES CC(F)(F)CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)O
Show InChI InChI=1S/C15H24F2N2O5S/c1-13(2,21)10-9-11(24-19-10)18-12(20)14(3,4)25(22,23)8-6-7-15(5,16)17/h9,21H,6-8H2,1-5H3,(H,18,20)
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n/an/an/an/a 2.60E+4n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295688
PNG
(Example 17 in WO2010036630)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C18H30N2O6S/c1-17(2,12-24-5)14-10-15(26-20-14)19-16(21)18(3,4)27(22,23)11-13-6-8-25-9-7-13/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)
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n/an/an/an/a 304n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50006447
PNG
(CHEMBL3234702 | Example 2 in WO2010036630)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C16H26N2O6S/c1-15(2,10-19)12-9-13(24-18-12)17-14(20)16(3,4)25(21,22)11-5-7-23-8-6-11/h9,11,19H,5-8,10H2,1-4H3,(H,17,20)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295691
PNG
(Example 38 in WO2010036630)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C17H28N2O6S/c1-16(2,11-23-5)13-10-14(25-19-13)18-15(20)17(3,4)26(21,22)12-6-8-24-9-7-12/h10,12H,6-9,11H2,1-5H3,(H,18,20)
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n/an/an/an/a 3.10n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295700
PNG
(US10112934, Example 7)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1nnc(s1)C(C)(C)C#N
Show InChI InChI=1S/C17H27N5O2S/c1-16(2,11-18)14-20-21-15(25-14)19-13(23)17(3,4)22(5)10-12-6-8-24-9-7-12/h12H,6-10H2,1-5H3,(H,19,21,23)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295702
PNG
(US10112934, Example 8)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1nnc(s1)C(C)(C)C#N
Show InChI InChI=1S/C17H28N6O3S2/c1-16(2,11-18)14-20-21-15(27-14)19-13(24)17(3,4)22(5)12-7-9-23(10-8-12)28(6,25)26/h12H,7-10H2,1-6H3,(H,19,21,24)
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n/an/an/an/a 4.30n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295663
PNG
(US10112934, Example 1)
Show SMILES CC(F)(F)CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C16H23F2N3O4S/c1-14(2,10-19)11-9-12(25-21-11)20-13(22)15(3,4)26(23,24)8-6-7-16(5,17)18/h9H,6-8H2,1-5H3,(H,20,22)
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n/an/an/an/a 18n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295692
PNG
(Example 133 in WO2010036630)
Show SMILES CC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1
Show InChI InChI=1S/C15H24N2O6S/c1-14(2,19)11-9-12(23-17-11)16-13(18)15(3,4)24(20,21)10-5-7-22-8-6-10/h9-10,19H,5-8H2,1-4H3,(H,16,18)
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n/an/an/an/a 2.00E+5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295694
PNG
(Example 46 in WO2010147792)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
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n/an/an/an/a 0.270n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295697
PNG
(Example 47 in WO2010147792)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C18H32N4O5S/c1-17(2,12-23)14-11-15(27-20-14)19-16(24)18(3,4)21(5)13-7-9-22(10-8-13)28(6,25)26/h11,13,23H,7-10,12H2,1-6H3,(H,19,24)
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n/an/an/an/a 51.5n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM295693
PNG
(US10112934, Example 4)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H28N4O3/c1-17(2,12-19)14-10-15(25-21-14)20-16(23)18(3,4)22(5)11-13-6-8-24-9-7-13/h10,13H,6-9,11H2,1-5H3,(H,20,23)
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n/an/an/an/a 0.360n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50042659
PNG
(CHEMBL3353870 | Example 190 in WO2010077836)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1
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US Patent
n/an/an/an/a 2.80n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM295664
PNG
(Example 7 in WO2010036630)
Show SMILES CC(F)(F)CCCS(=O)(=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C16H26F2N2O5S/c1-14(2,10-21)11-9-12(25-20-11)19-13(22)15(3,4)26(23,24)8-6-7-16(5,17)18/h9,21H,6-8,10H2,1-5H3,(H,19,22)
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n/an/an/an/a 2.80E+4n/an/an/an/a



Centrexion Therapeutics Corporation

US Patent


Assay Description
CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37 C. A...


US Patent US10112934 (2018)

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