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Patent code US10676469

Compile Data Set for Download or QSAR

Found 383 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450843
PNG
(US10676469, Compound 101)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCOC1
Show InChI InChI=1S/C24H29F2N5O2/c1-14-19-11-16(3-7-25)12-20(26)22(19)29-23(21(14)24-27-15(2)30-33-24)31-8-4-17(5-9-31)28-18-6-10-32-13-18/h11-12,17-18,28H,3-10,13H2,1-2H3/t18-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50531921
PNG
(CHEMBL4544914 | US10676469, Compound 148)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32FN5O2/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450952
PNG
(US10676469, Compound 215)
Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C27H34N6O2/c1-5-19-13-20(15-28)25-23(14-19)17(3)24(27-29-18(4)32-35-27)26(31-25)33-9-6-22(12-16(33)2)30-21-7-10-34-11-8-21/h13-14,16,21-22,30H,5-12H2,1-4H3/t16-,22-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450842
PNG
(US10676469, Compound 100)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCCOC1
Show InChI InChI=1S/C25H31F2N5O2/c1-15-20-12-17(5-8-26)13-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-6-18(7-10-32)29-19-4-3-11-33-14-19/h12-13,18-19,29H,3-11,14H2,1-2H3/t19-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50531915
PNG
(CHEMBL4440683 | US10676469, Compound 144)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32FN5O2/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450936
PNG
(US10676469, Compound 176)
Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)N[C@H]1CCOC1
Show InChI InChI=1S/C24H30ClN5O2/c1-13-9-19-15(3)21(24-26-16(4)29-32-24)23(28-22(19)20(25)10-13)30-7-5-17(11-14(30)2)27-18-6-8-31-12-18/h9-10,14,17-18,27H,5-8,11-12H2,1-4H3/t14-,17+,18+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450939
PNG
(US10676469, Compound 183)
Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)N[C@@H]1CCOC1
Show InChI InChI=1S/C25H30N6O2/c1-14-9-18(12-26)23-21(10-14)16(3)22(25-27-17(4)30-33-25)24(29-23)31-7-5-19(11-15(31)2)28-20-6-8-32-13-20/h9-10,15,19-20,28H,5-8,11,13H2,1-4H3/t15-,19-,20-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450950
PNG
(US10676469, Compound 213)
Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H32N6O2/c1-5-18-11-19(13-27)24-22(12-18)16(3)23(26-28-17(4)31-34-26)25(30-24)32-8-6-20(10-15(32)2)29-21-7-9-33-14-21/h11-12,15,20-21,29H,5-10,14H2,1-4H3/t15-,20-,21-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450828
PNG
(US10676469, Compound 86)
Show SMILES CCc1cc(Cl)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32ClN5O2/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450861
PNG
(US10676469, Compound 119)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(F)c2nc1N1CCC(CC1)N[C@@H]1CCCOC1
Show InChI InChI=1S/C24H30FN5O2/c1-14-11-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)12-14)30-8-6-17(7-9-30)27-18-5-4-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450947
PNG
(US10676469, Compound 191)
Show SMILES CCc1cc(Cl)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32ClN5O2/c1-5-17-11-20-15(3)22(25-27-16(4)30-33-25)24(29-23(20)21(26)12-17)31-8-6-18(10-14(31)2)28-19-7-9-32-13-19/h11-12,14,18-19,28H,5-10,13H2,1-4H3/t14-,18-,19+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450831
PNG
(US10676469, Compound 89)
Show SMILES CCc1cc(C#N)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H30N6O2/c1-4-17-11-18(13-26)23-21(12-17)15(2)22(25-27-16(3)30-33-25)24(29-23)31-8-5-19(6-9-31)28-20-7-10-32-14-20/h11-12,19-20,28H,4-10,14H2,1-3H3/t20-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50531916
PNG
(CHEMBL4456582 | US10676469, Compound 145)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C24H30FN5O2/c1-4-16-11-19-14(2)21(24-26-15(3)29-32-24)23(28-22(19)20(25)12-16)30-8-5-17(6-9-30)27-18-7-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450934
PNG
(US10676469, Compound 174)
Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)NC1CCOCC1
Show InChI InChI=1S/C25H32ClN5O2/c1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h11-12,15,18-19,28H,5-10,13H2,1-4H3/t15-,19+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450938
PNG
(US10676469, Compound 182)
Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)N[C@H]1CCOC1
Show InChI InChI=1S/C25H30N6O2/c1-14-9-18(12-26)23-21(10-14)16(3)22(25-27-17(4)30-33-25)24(29-23)31-7-5-19(11-15(31)2)28-20-6-8-32-13-20/h9-10,15,19-20,28H,5-8,11,13H2,1-4H3/t15-,19-,20+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450964
PNG
(US10676469, Compound 246)
Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC[C@H]1CCCO1
Show InChI InChI=1S/C26H32N6O2/c1-15-10-19(13-27)24-22(11-15)17(3)23(26-29-18(4)31-34-26)25(30-24)32-8-7-20(12-16(32)2)28-14-21-6-5-9-33-21/h10-11,16,20-21,28H,5-9,12,14H2,1-4H3/t16-,20-,21-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450832
PNG
(US10676469, Compound 90)
Show SMILES CCc1cc(C#N)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(cc2c1)-c1nc(C)no1
Show InChI InChI=1S/C25H30N6O2/c1-3-17-11-18-13-22(25-27-16(2)30-33-25)24(29-23(18)19(12-17)14-26)31-8-6-20(7-9-31)28-21-5-4-10-32-15-21/h11-13,20-21,28H,3-10,15H2,1-2H3/t21-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450862
PNG
(US10676469, Compound 120)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCCOC1
Show InChI InChI=1S/C24H30FN5O2/c1-14-11-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)12-14)30-8-6-17(7-9-30)27-18-5-4-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50531919
PNG
(CHEMBL4549826 | US10676469, Compound 146)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C24H30FN5O2/c1-4-16-11-19-14(2)21(24-26-15(3)29-32-24)23(28-22(19)20(25)12-16)30-8-5-17(6-9-30)27-18-7-10-31-13-18/h11-12,17-18,27H,4-10,13H2,1-3H3/t18-/m0/s1
PDB

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n/an/a<1n/an/an/an/an/an/a



BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450854
PNG
(US10676469, Compound 112)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)N[C@@H]1CCCOC1
Show InChI InChI=1S/C26H29F3N6O2/c1-15-21-11-17(12-26(27,28)29)10-18(13-30)23(21)33-24(22(15)25-31-16(2)34-37-25)35-7-5-19(6-8-35)32-20-4-3-9-36-14-20/h10-11,19-20,32H,3-9,12,14H2,1-2H3/t20-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450855
PNG
(US10676469, Compound 113)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)N[C@H]1CCCOC1
Show InChI InChI=1S/C26H29F3N6O2/c1-15-21-11-17(12-26(27,28)29)10-18(13-30)23(21)33-24(22(15)25-31-16(2)34-37-25)35-7-5-19(6-8-35)32-20-4-3-9-36-14-20/h10-11,19-20,32H,3-9,12,14H2,1-2H3/t20-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450886
PNG
(US10676469, Compound 157)
Show SMILES CCc1cc2c(C)c(-c3nc(C)no3)c(nc2c(F)c1F)N1CCC(CC1)N[C@H]1CCCOC1
Show InChI InChI=1S/C25H31F2N5O2/c1-4-16-12-19-14(2)20(25-28-15(3)31-34-25)24(30-23(19)22(27)21(16)26)32-9-7-17(8-10-32)29-18-6-5-11-33-13-18/h12,17-18,29H,4-11,13H2,1-3H3/t18-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450901
PNG
(US10676469, Compound 195)
Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32FN5O2/c1-5-17-11-20-15(3)22(25-27-16(4)30-33-25)24(29-23(20)21(26)12-17)31-8-6-18(10-14(31)2)28-19-7-9-32-13-19/h11-12,14,18-19,28H,5-10,13H2,1-4H3/t14-,18-,19+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450937
PNG
(US10676469, Compound 181)
Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC1CCOCC1
Show InChI InChI=1S/C26H32N6O2/c1-15-11-19(14-27)24-22(12-15)17(3)23(26-28-18(4)31-34-26)25(30-24)32-8-5-21(13-16(32)2)29-20-6-9-33-10-7-20/h11-12,16,20-21,29H,5-10,13H2,1-4H3/t16-,21-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450932
PNG
(US10676469, Compound 172 | US10676469, Compound 17...)
Show SMILES CCc1cc(F)c2nc(N3CC[C@@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34FN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450833
PNG
(US10676469, Compound 91)
Show SMILES CCc1cc(C#N)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H32N6O2/c1-4-18-12-19(14-27)24-22(13-18)16(2)23(26-28-17(3)31-34-26)25(30-24)32-9-7-20(8-10-32)29-21-6-5-11-33-15-21/h12-13,20-21,29H,4-11,15H2,1-3H3/t21-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450841
PNG
(US10676469, Compound 99)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)NC1CCOCC1
Show InChI InChI=1S/C25H31F2N5O2/c1-15-20-13-17(3-8-26)14-21(27)23(20)30-24(22(15)25-28-16(2)31-34-25)32-9-4-18(5-10-32)29-19-6-11-33-12-7-19/h13-14,18-19,29H,3-12H2,1-2H3
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50531908
PNG
(BTRX-335140 | Btrx-335140 | CYM-53093 | US10676469...)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450946
PNG
(US10676469, Compound 190)
Show SMILES CCc1cc(Cl)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34ClN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450959
PNG
(US10676469, Compound 243)
Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34FN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20+/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450965
PNG
(US10676469, Compound 247)
Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC[C@@H]1CCCO1
Show InChI InChI=1S/C26H32N6O2/c1-15-10-19(13-27)24-22(11-15)17(3)23(26-29-18(4)31-34-26)25(30-24)32-8-7-20(12-16(32)2)28-14-21-6-5-9-33-21/h10-11,16,20-21,28H,5-9,12,14H2,1-4H3/t16-,20-,21+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450822
PNG
(US10676469, Compound 37)
Show SMILES COc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C24H30FN5O3/c1-14-19-11-18(31-3)12-20(25)22(19)28-23(21(14)24-26-15(2)29-33-24)30-8-6-16(7-9-30)27-17-5-4-10-32-13-17/h11-12,16-17,27H,4-10,13H2,1-3H3/t17-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450903
PNG
(US10676469, Compound 197)
Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34FN5O2/c1-5-18-13-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)14-18)32-9-6-20(12-15(32)2)29-19-7-10-33-11-8-19/h13-15,19-20,29H,5-12H2,1-4H3/t15-,20-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50531905
PNG
(CHEMBL4566736 | US10676469, Compound 251)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(cc2c1)-c1nc(C)no1
Show InChI InChI=1S/C23H28FN5O2/c1-3-15-10-16-12-19(23-25-14(2)28-31-23)22(27-21(16)20(24)11-15)29-7-4-17(5-8-29)26-18-6-9-30-13-18/h10-12,17-18,26H,3-9,13H2,1-2H3/t18-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450805
PNG
(US10676469, Compound 20)
Show SMILES CCc1cc2cc(-c3nc(C)no3)c(nc2cc1F)N1CCC(CC1)NC1CCOCC1
Show InChI InChI=1S/C24H30FN5O2/c1-3-16-12-17-13-20(24-26-15(2)29-32-24)23(28-22(17)14-21(16)25)30-8-4-18(5-9-30)27-19-6-10-31-11-7-19/h12-14,18-19,27H,3-11H2,1-2H3
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450811
PNG
(US10676469, Compound 26)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(C3CC3)c(F)cc2nc1N1CCC(CC1)N[C@@H]1CCCOC1
Show InChI InChI=1S/C26H32FN5O2/c1-15-20-12-21(17-5-6-17)22(27)13-23(20)30-25(24(15)26-28-16(2)31-34-26)32-9-7-18(8-10-32)29-19-4-3-11-33-14-19/h12-13,17-19,29H,3-11,14H2,1-2H3/t19-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450824
PNG
(US10676469, Compound 39)
Show SMILES COc1cc(F)c2nc(N3CCC(CC3)NCC3CC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C23H28FN5O2/c1-13-18-10-17(30-3)11-19(24)21(18)27-22(20(13)23-26-14(2)28-31-23)29-8-6-16(7-9-29)25-12-15-4-5-15/h10-11,15-16,25H,4-9,12H2,1-3H3
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450839
PNG
(US10676469, Compound 97)
Show SMILES C[C@H](F)c1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H31F2N5O2/c1-14-20-12-17(15(2)26)13-21(27)23(20)30-24(22(14)25-28-16(3)31-34-25)32-8-4-18(5-9-32)29-19-6-10-33-11-7-19/h12-13,15,18-19,29H,4-11H2,1-3H3/t15-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450840
PNG
(US10676469, Compound 98)
Show SMILES C[C@@H](F)c1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H31F2N5O2/c1-14-20-12-17(15(2)26)13-21(27)23(20)30-24(22(14)25-28-16(3)31-34-25)32-8-4-18(5-9-32)29-19-6-10-33-11-7-19/h12-13,15,18-19,29H,4-11H2,1-3H3/t15-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450880
PNG
(US10676469, Compound 151)
Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3noc(C)n3)c(C)c2c1
Show InChI InChI=1S/C25H32FN5O2/c1-4-17-12-20-15(2)22(24-27-16(3)33-30-24)25(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19/h12-13,18-19,28H,4-11,14H2,1-3H3/t19-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450889
PNG
(US10676469, Compound 160)
Show SMILES CCc1ccc2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1F
Show InChI InChI=1S/C25H32FN5O2/c1-4-17-7-8-20-21(23(17)26)15(2)22(25-27-16(3)30-33-25)24(29-20)31-11-9-18(10-12-31)28-19-6-5-13-32-14-19/h7-8,18-19,28H,4-6,9-14H2,1-3H3/t19-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450913
PNG
(US10676469, Compound 209)
Show SMILES CC(C)c1cc(F)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3/t15-,19-,20+/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450915
PNG
(US10676469, Compound 218 | US10676469, Compound 24...)
Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(F)cc(C)cc2c(C)c1-c1nc(C)no1)NC1CCOCC1
Show InChI InChI=1S/C25H32FN5O2/c1-14-11-20-16(3)22(25-27-17(4)30-33-25)24(29-23(20)21(26)12-14)31-8-5-19(13-15(31)2)28-18-6-9-32-10-7-18/h11-12,15,18-19,28H,5-10,13H2,1-4H3/t15-,19-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450914
PNG
(US10676469, Compound 210)
Show SMILES CC(C)c1cc(F)c2nc(N3CC[C@H](C[C@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3/t15-,19-,20-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450962
PNG
(US10676469, Compound 248)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(C#N)c2nc1N1CC[C@@H](NC2CCOCC2)[C@@H](F)C1
Show InChI InChI=1S/C25H29FN6O2/c1-14-10-17(12-27)23-19(11-14)15(2)22(25-28-16(3)31-34-25)24(30-23)32-7-4-21(20(26)13-32)29-18-5-8-33-9-6-18/h10-11,18,20-21,29H,4-9,13H2,1-3H3/t20-,21+/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450783
PNG
(US10676469, Compound 3)
Show SMILES CC(C)c1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C26H34FN5O2/c1-15(2)18-12-21-16(3)23(26-28-17(4)31-34-26)25(30-24(21)22(27)13-18)32-9-7-19(8-10-32)29-20-6-5-11-33-14-20/h12-13,15,19-20,29H,5-11,14H2,1-4H3/t20-/m0/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450830
PNG
(US10676469, Compound 88)
Show SMILES CCc1cc(Cl)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
Show InChI InChI=1S/C25H32ClN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450851
PNG
(US10676469, Compound 109)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(F)c2nc1N1CCC(CC1)NC1CCOCC1
Show InChI InChI=1S/C25H29F4N5O2/c1-14-19-11-16(13-25(27,28)29)12-20(26)22(19)32-23(21(14)24-30-15(2)33-36-24)34-7-3-17(4-8-34)31-18-5-9-35-10-6-18/h11-12,17-18,31H,3-10,13H2,1-2H3
PDB

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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450853
PNG
(US10676469, Compound 111)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)NC1CCOCC1
Show InChI InChI=1S/C26H29F3N6O2/c1-15-21-12-17(13-26(27,28)29)11-18(14-30)23(21)33-24(22(15)25-31-16(2)34-37-25)35-7-3-19(4-8-35)32-20-5-9-36-10-6-20/h11-12,19-20,32H,3-10,13H2,1-2H3
PDB

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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM450923
PNG
(US10676469, Compound 227)
Show SMILES Cc1noc(n1)-c1c(C)c2cc(OC(F)(F)F)cc(F)c2nc1N1CCC(CC1)N[C@@H]1CCOC1
Show InChI InChI=1S/C23H25F4N5O3/c1-12-17-9-16(34-23(25,26)27)10-18(24)20(17)30-21(19(12)22-28-13(2)31-35-22)32-6-3-14(4-7-32)29-15-5-8-33-11-15/h9-10,14-15,29H,3-8,11H2,1-2H3/t15-/m1/s1
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BLACKTHORN THERAPEUTICS, INC.; THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid l...


US Patent US10676469 (2020)

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