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Patent code US9682966

Compile Data Set for Download or QSAR

Found 563 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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156516
PNG
(US10118915, Compound 303 | US9682966, 303)
Show SMILES COC1CN(CCC1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1nc(no1)C1CC1
Show InChI InChI=1S/C27H35N5O2/c1-17-8-11-22-19(14-17)15-21(27-30-25(31-34-27)18-9-10-18)26(29-22)32-13-12-23(24(16-32)33-2)28-20-6-4-3-5-7-20/h8,11,14-15,18,20,23-24,28H,3-7,9-10,12-13,16H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156523
PNG
(US10118915, Compound 309 | US9682966, 309)
Show SMILES COC1CN(CCC1NC1CCCC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C24H31N5O2/c1-15-8-9-20-17(12-15)13-19(24-25-16(2)28-31-24)23(27-20)29-11-10-21(22(14-29)30-3)26-18-6-4-5-7-18/h8-9,12-13,18,21-22,26H,4-7,10-11,14H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156507
PNG
(US10118915, Compound 294 | US9682966, 294)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(25-26-17(2)29-32-25)24(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3/t22-,23+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156526
PNG
(US10118915, Compound 312 | US9682966, 312)
Show SMILES COC1CN(CCC1NC1CCCCCC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C26H35N5O2/c1-17-10-11-22-19(14-17)15-21(26-27-18(2)30-33-26)25(29-22)31-13-12-23(24(16-31)32-3)28-20-8-6-4-5-7-9-20/h10-11,14-15,20,23-24,28H,4-9,12-13,16H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156547
PNG
(US10118915, Compound 328 | US9682966, 328)
Show SMILES Cc1nc(no1)-c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1
Show InChI InChI=1S/C25H33N5O2/c1-16-8-9-22-18(12-16)13-21(24-26-17(2)32-29-24)25(28-22)30-11-10-23(19(14-30)15-31)27-20-6-4-3-5-7-20/h8-9,12-13,19-20,23,27,31H,3-7,10-11,14-15H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156557
PNG
(US10118915, Compound 337 | US9682966, 337)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1nc(no1)C1CC1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-17-8-11-22-19(14-17)15-21(27-30-25(31-34-27)18-9-10-18)26(29-22)32-13-12-23(24(16-32)33-2)28-20-6-4-3-5-7-20/h8,11,14-15,18,20,23-24,28H,3-7,9-10,12-13,16H2,1-2H3/t23-,24+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156437
PNG
(US10118915, Compound 371 | US9682966, 231 | US9682...)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C24H31N5O2/c1-15-7-8-20-17(13-15)14-19(24-25-16(2)28-31-24)23(27-20)29-11-9-18(10-12-29)26-21-5-3-4-6-22(21)30/h7-8,13-14,18,21-22,26,30H,3-6,9-12H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156570
PNG
(US10118915, Compound 350 | US9682966, 350)
Show SMILES CC1CCC(CC1)NC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 |(8.67,-.62,;7.34,-1.39,;7.34,-2.93,;6,-3.7,;4.67,-2.93,;4.67,-1.39,;6,-.62,;3.33,-3.7,;2,-2.93,;.67,-3.7,;-.67,-2.93,;-.67,-1.39,;.67,-.62,;2,-1.39,;-2,-.62,;-3.33,-1.39,;-4.67,-.62,;-6,-1.39,;-7.34,-.62,;-7.34,.92,;-8.67,1.69,;-6,1.69,;-4.67,.92,;-3.33,1.69,;-2,.92,;-.67,1.69,;.8,1.21,;1.7,2.46,;3.24,2.46,;.8,3.7,;-.67,3.23,)|
Show InChI InChI=1S/C25H33N5O/c1-16-4-7-20(8-5-16)27-21-10-12-30(13-11-21)24-22(25-26-18(3)29-31-25)15-19-14-17(2)6-9-23(19)28-24/h6,9,14-16,20-21,27H,4-5,7-8,10-13H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156558
PNG
(US10118915, Compound 338 | US9682966, 338)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(24-26-17(2)32-29-24)25(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3/t22-,23+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156525
PNG
(US10118915, Compound 311 | US9682966, 311)
Show SMILES COC1CN(CCC1NC1CCCCCC1)c1nc2ccccc2cc1-c1nc(C)no1
Show InChI InChI=1S/C25H33N5O2/c1-17-26-25(32-29-17)20-15-18-9-7-8-12-21(18)28-24(20)30-14-13-22(23(16-30)31-2)27-19-10-5-3-4-6-11-19/h7-9,12,15,19,22-23,27H,3-6,10-11,13-14,16H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156437
PNG
(US10118915, Compound 371 | US9682966, 231 | US9682...)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCCC1O
Show InChI InChI=1S/C24H31N5O2/c1-15-7-8-20-17(13-15)14-19(24-25-16(2)28-31-24)23(27-20)29-11-9-18(10-12-29)26-21-5-3-4-6-22(21)30/h7-8,13-14,18,21-22,26,30H,3-6,9-12H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156607
PNG
(US9682966, 385)
Show SMILES CC(C)OC(=O)\C(\C=C(\C)N)=C(\N)N1CCC(CC1)NC1CCCCC1
Show InChI InChI=1S/C20H36N4O2/c1-14(2)26-20(25)18(13-15(3)21)19(22)24-11-9-17(10-12-24)23-16-7-5-4-6-8-16/h13-14,16-17,23H,4-12,21-22H2,1-3H3/b15-13-,19-18-
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156575
PNG
(US10118915, Compound 355 | US9682966, 355)
Show SMILES CCc1ccc2nc(N3CCC(CC3)NCC(C)C)c(cc2c1)-c1nc(C)no1
Show InChI InChI=1S/C23H31N5O/c1-5-17-6-7-21-18(12-17)13-20(23-25-16(4)27-29-23)22(26-21)28-10-8-19(9-11-28)24-14-15(2)3/h6-7,12-13,15,19,24H,5,8-11,14H2,1-4H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156568
PNG
(US10118915, Compound 348 | US9682966, 348)
Show SMILES CC1CCCCC1NC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C25H33N5O/c1-16-8-9-23-19(14-16)15-21(25-26-18(3)29-31-25)24(28-23)30-12-10-20(11-13-30)27-22-7-5-4-6-17(22)2/h8-9,14-15,17,20,22,27H,4-7,10-13H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156541
PNG
(US10118915, Compound 324 | US9682966, 324)
Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM155858
PNG
(US10118915, Compound 95 | US9682966, 95)
Show SMILES CCCC(=O)Nc1cnc(N2CCC(CC2)NC2CCCCC2)c(c1)C(=O)OC
Show InChI InChI=1S/C22H34N4O3/c1-3-7-20(27)25-18-14-19(22(28)29-2)21(23-15-18)26-12-10-17(11-13-26)24-16-8-5-4-6-9-16/h14-17,24H,3-13H2,1-2H3,(H,25,27)
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156529
PNG
(US10118915, Compound 313 | US9682966, 313)
Show SMILES CCc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCCC2)C(C1)OC
Show InChI InChI=1S/C27H37N5O2/c1-4-25-30-27(34-31-25)21-16-19-15-18(2)11-12-22(19)29-26(21)32-14-13-23(24(17-32)33-3)28-20-9-7-5-6-8-10-20/h11-12,15-16,20,23-24,28H,4-10,13-14,17H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156544
PNG
(US10118915, Compound 326 | US9682966, 326)
Show SMILES COC1CN(CCC1NC1CCOCC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C24H31N5O3/c1-15-4-5-20-17(12-15)13-19(24-25-16(2)28-32-24)23(27-20)29-9-6-21(22(14-29)30-3)26-18-7-10-31-11-8-18/h4-5,12-13,18,21-22,26H,6-11,14H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156591
PNG
(US10118915, Compound 369 | US9682966, 369)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-7-8-21-17(13-15)14-20(23-24-16(2)27-29-23)22(26-21)28-11-9-19(10-12-28)25-18-5-3-4-6-18/h7-8,13-14,18-19,25H,3-6,9-12H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156510
PNG
(US10118915, Compound 297 | US9682966, 297)
Show SMILES CCc1noc(n1)-c1cc2cc(C)ccc2nc1N1CC[C@@H](NC2CCCCC2)[C@H](C1)OC |r|
Show InChI InChI=1S/C26H35N5O2/c1-4-24-29-26(33-30-24)20-15-18-14-17(2)10-11-21(18)28-25(20)31-13-12-22(23(16-31)32-3)27-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,27H,4-9,12-13,16H2,1-3H3/t22-,23+/m1/s1
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n/an/a 2n/an/an/an/an/a25



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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156589
PNG
(US10118915, Compound 367 | US9682966, 367)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCCCC1
Show InChI InChI=1S/C25H33N5O/c1-17-9-10-23-19(15-17)16-22(25-26-18(2)29-31-25)24(28-23)30-13-11-21(12-14-30)27-20-7-5-3-4-6-8-20/h9-10,15-16,20-21,27H,3-8,11-14H2,1-2H3
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n/an/a 2n/an/an/an/an/a25



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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156508
PNG
(US10118915, Compound 295 | US9682966, 295)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nc2ccccc2cc1-c1nc(C)no1 |r|
Show InChI InChI=1S/C24H31N5O2/c1-16-25-24(31-28-16)19-14-17-8-6-7-11-20(17)27-23(19)29-13-12-21(22(15-29)30-2)26-18-9-4-3-5-10-18/h6-8,11,14,18,21-22,26H,3-5,9-10,12-13,15H2,1-2H3/t21-,22+/m1/s1
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n/an/a 2n/an/an/an/an/a25



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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156530
PNG
(US10118915, Compound 314 | US9682966, 314)
Show SMILES COC1CN(CCC1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1noc(C)n1
Show InChI InChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(24-26-17(2)32-29-24)25(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156439
PNG
(US10118915, Compound 233 | US9682966, 233)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCOCC1
Show InChI InChI=1S/C23H29N5O2/c1-15-3-4-21-17(13-15)14-20(23-24-16(2)27-30-23)22(26-21)28-9-5-18(6-10-28)25-19-7-11-29-12-8-19/h3-4,13-14,18-19,25H,5-12H2,1-2H3
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n/an/a 2n/an/an/an/an/a25



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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156651
PNG
(US10118915, Compound 419 | US9682966, 419)
Show SMILES Cc1nc(no1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCOC1
Show InChI InChI=1S/C23H29N5O2/c1-15-5-6-21-17(12-15)13-20(22-24-16(2)30-27-22)23(26-21)28-9-7-18(8-10-28)25-19-4-3-11-29-14-19/h5-6,12-13,18-19,25H,3-4,7-11,14H2,1-2H3
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n/an/a 2n/an/an/an/an/a25



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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156522
PNG
(US10118915, Compound 308 | US9682966, 308)
Show SMILES COC1CN(CCC1NC1CCCC1)c1nc2ccccc2cc1-c1nc(C)no1
Show InChI InChI=1S/C23H29N5O2/c1-15-24-23(30-27-15)18-13-16-7-3-6-10-19(16)26-22(18)28-12-11-20(21(14-28)29-2)25-17-8-4-5-9-17/h3,6-7,10,13,17,20-21,25H,4-5,8-9,11-12,14H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156647
PNG
(US10118915, Compound 415 | US9682966, 415)
Show SMILES Cc1nc(no1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCCCC1
Show InChI InChI=1S/C25H33N5O/c1-17-9-10-23-19(15-17)16-22(24-26-18(2)31-29-24)25(28-23)30-13-11-21(12-14-30)27-20-7-5-3-4-6-8-20/h9-10,15-16,20-21,27H,3-8,11-14H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156584
PNG
(US10118915, Compound 362 | US9682966, 362)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nc2c(C)cc(C)cc2cc1-c1nc(C)no1 |r|
Show InChI InChI=1S/C26H35N5O2/c1-16-12-17(2)24-19(13-16)14-21(26-27-18(3)30-33-26)25(29-24)31-11-10-22(23(15-31)32-4)28-20-8-6-5-7-9-20/h12-14,20,22-23,28H,5-11,15H2,1-4H3/t22-,23+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156511
PNG
(US9682966, 298)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)C(\N)=C(\C=C(\C)N)/c1nc(C)no1 |r|
Show InChI InChI=1S/C20H34N6O2/c1-13(21)11-16(20-23-14(2)25-28-20)19(22)26-10-9-17(18(12-26)27-3)24-15-7-5-4-6-8-15/h11,15,17-18,24H,4-10,12,21-22H2,1-3H3/b13-11-,19-16-/t17-,18+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156571
PNG
(US10118915, Compound 351 | US9682966, 351)
Show SMILES CCCC(C)NC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C23H31N5O/c1-5-6-16(3)24-19-9-11-28(12-10-19)22-20(23-25-17(4)27-29-23)14-18-13-15(2)7-8-21(18)26-22/h7-8,13-14,16,19,24H,5-6,9-12H2,1-4H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156652
PNG
(US10118915, Compound 420 | US9682966, 420)
Show SMILES Cc1nc(no1)-c1cc(C)nnc1N1CCC(CC1)NC1CCCCC1
Show InChI InChI=1S/C19H28N6O/c1-13-12-17(18-20-14(2)26-24-18)19(23-22-13)25-10-8-16(9-11-25)21-15-6-4-3-5-7-15/h12,15-16,21H,3-11H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156379
PNG
(US10118915, Compound 293 | US9682966, 214 | US9682...)
Show SMILES COC1CN(CCC1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1
Show InChI InChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(25-26-17(2)29-32-25)24(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156381
PNG
(US10118915, Compound 215 | US9682966, 215)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(CO)C1
Show InChI InChI=1S/C25H33N5O2/c1-16-8-9-22-18(12-16)13-21(25-26-17(2)29-32-25)24(28-22)30-11-10-23(19(14-30)15-31)27-20-6-4-3-5-7-20/h8-9,12-13,19-20,23,27,31H,3-7,10-11,14-15H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156572
PNG
(US10118915, Compound 352 | US9682966, 352)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NCC1CCCCC1O
Show InChI InChI=1S/C25H33N5O2/c1-16-7-8-22-19(13-16)14-21(25-27-17(2)29-32-25)24(28-22)30-11-9-20(10-12-30)26-15-18-5-3-4-6-23(18)31/h7-8,13-14,18,20,23,26,31H,3-6,9-12,15H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156424
PNG
(US10118915, Compound 219 | US9682966, 219)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCCC1
Show InChI InChI=1S/C24H31N5O/c1-16-8-9-22-18(14-16)15-21(24-25-17(2)28-30-24)23(27-22)29-12-10-20(11-13-29)26-19-6-4-3-5-7-19/h8-9,14-15,19-20,26H,3-7,10-13H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156518
PNG
(US10118915, Compound 304 | US9682966, 304)
Show SMILES Cc1ccc2nc(N3CCC(NC4CCCCC4)C(CO)C3)c(cc2c1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C27H35N5O2/c1-17-7-10-23-19(13-17)14-22(27-30-25(31-34-27)18-8-9-18)26(29-23)32-12-11-24(20(15-32)16-33)28-21-5-3-2-4-6-21/h7,10,13-14,18,20-21,24,28,33H,2-6,8-9,11-12,15-16H2,1H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156496
PNG
(US10118915, Compound 283 | US9682966, 283)
Show SMILES CCc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(NC2CCCCC2)C(C1)OC
Show InChI InChI=1S/C26H35N5O2/c1-4-24-29-26(33-30-24)20-15-18-14-17(2)10-11-21(18)28-25(20)31-13-12-22(23(16-31)32-3)27-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,27H,4-9,12-13,16H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156531
PNG
(US10118915, Compound 315 | US9682966, 315)
Show SMILES CO[C@@H]1CN(CC[C@@H]1NC1CCCCC1)c1nc2ccc(C)cc2cc1-c1nc(C)no1 |r|
Show InChI InChI=1S/C25H33N5O2/c1-16-9-10-21-18(13-16)14-20(25-26-17(2)29-32-25)24(28-21)30-12-11-22(23(15-30)31-3)27-19-7-5-4-6-8-19/h9-10,13-14,19,22-23,27H,4-8,11-12,15H2,1-3H3/t22-,23+/m0/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156453
PNG
(US10118915, Compound 247 | US9682966, 247)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCCOC1
Show InChI InChI=1S/C23H29N5O2/c1-15-5-6-21-17(12-15)13-20(23-24-16(2)27-30-23)22(26-21)28-9-7-18(8-10-28)25-19-4-3-11-29-14-19/h5-6,12-13,18-19,25H,3-4,7-11,14H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156441
PNG
(US10118915, Compound 235 | US9682966, 235)
Show SMILES Cc1noc(n1)-c1cc2ccccc2nc1N1CCC(CC1)NC1CCCOC1
Show InChI InChI=1S/C22H27N5O2/c1-15-23-22(29-26-15)19-13-16-5-2-3-7-20(16)25-21(19)27-10-8-17(9-11-27)24-18-6-4-12-28-14-18/h2-3,5,7,13,17-18,24H,4,6,8-12,14H2,1H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156524
PNG
(US10118915, Compound 310 | US9682966, 310)
Show SMILES CCc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)C(C1)OC
Show InChI InChI=1S/C25H33N5O2/c1-4-23-28-25(32-29-23)19-14-17-13-16(2)9-10-20(17)27-24(19)30-12-11-21(22(15-30)31-3)26-18-7-5-6-8-18/h9-10,13-14,18,21-22,26H,4-8,11-12,15H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156648
PNG
(US10118915, Compound 416 | US9682966, 416)
Show SMILES CCC(CC)NC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1noc(C)n1
Show InChI InChI=1S/C23H31N5O/c1-5-18(6-2)25-19-9-11-28(12-10-19)23-20(22-24-16(4)29-27-22)14-17-13-15(3)7-8-21(17)26-23/h7-8,13-14,18-19,25H,5-6,9-12H2,1-4H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156574
PNG
(US10118915, Compound 354 | US9682966, 354)
Show SMILES CC(C)CNC1CCN(CC1)c1nc2ccc(C)cc2cc1-c1nc(no1)C1CC1
Show InChI InChI=1S/C24H31N5O/c1-15(2)14-25-19-8-10-29(11-9-19)23-20(24-27-22(28-30-24)17-5-6-17)13-18-12-16(3)4-7-21(18)26-23/h4,7,12-13,15,17,19,25H,5-6,8-11,14H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156549
PNG
(US10118915, Compound 330 | US9682966, 330)
Show SMILES CCc1noc(n1)-c1cc2cc(C)ccc2nc1N1CC[C@H](NC2CCCCC2)[C@@H](C1)OC |r|
Show InChI InChI=1S/C26H35N5O2/c1-4-24-29-26(33-30-24)20-15-18-14-17(2)10-11-21(18)28-25(20)31-13-12-22(23(16-31)32-3)27-19-8-6-5-7-9-19/h10-11,14-15,19,22-23,27H,4-9,12-13,16H2,1-3H3/t22-,23+/m0/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156178
PNG
(US10118915, Compound 186 | US9682966, 186)
Show SMILES Cc1noc(n1)-c1cc2ccccc2nc1N1CCC(NC2CCCCC2)C(CO)C1
Show InChI InChI=1S/C24H31N5O2/c1-16-25-24(31-28-16)20-13-17-7-5-6-10-21(17)27-23(20)29-12-11-22(18(14-29)15-30)26-19-8-3-2-4-9-19/h5-7,10,13,18-19,22,26,30H,2-4,8-9,11-12,14-15H2,1H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM158978
PNG
(US10118915, Compound 508 | US9682966, 508)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nc2cc(F)ccc2cc1-c1nc(C)no1 |r|
Show InChI InChI=1S/C24H30FN5O2/c1-15-26-24(32-29-15)19-12-16-8-9-17(25)13-21(16)28-23(19)30-11-10-20(22(14-30)31-2)27-18-6-4-3-5-7-18/h8-9,12-13,18,20,22,27H,3-7,10-11,14H2,1-2H3/t20-,22+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156435
PNG
(US10118915, Compound 229 | US9682966, 229)
Show SMILES Cc1noc(n1)-c1cc2ccc(C)cc2nc1N1CCC(NC2CCCCC2)C(CO)C1
Show InChI InChI=1S/C25H33N5O2/c1-16-8-9-18-13-21(25-26-17(2)29-32-25)24(28-23(18)12-16)30-11-10-22(19(14-30)15-31)27-20-6-4-3-5-7-20/h8-9,12-13,19-20,22,27,31H,3-7,10-11,14-15H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM156546
PNG
(US10118915, Compound 327 | US9682966, 327)
Show SMILES CCc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(NC2CCOCC2)C(C1)OC
Show InChI InChI=1S/C25H33N5O3/c1-4-23-28-25(33-29-23)19-14-17-13-16(2)5-6-20(17)27-24(19)30-10-7-21(22(15-30)31-3)26-18-8-11-32-12-9-18/h5-6,13-14,18,21-22,26H,4,7-12,15H2,1-3H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM158182
PNG
(US10118915, Compound 456 | US9682966, 456)
Show SMILES CO[C@H]1CN(CC[C@H]1NC1CCCCC1)c1nnc(C)cc1-c1nc(no1)C1CC1 |r|
Show InChI InChI=1S/C22H32N6O2/c1-14-12-17(22-24-20(27-30-22)15-8-9-15)21(26-25-14)28-11-10-18(19(13-28)29-2)23-16-6-4-3-5-7-16/h12,15-16,18-19,23H,3-11,13H2,1-2H3/t18-,19+/m1/s1
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM157258
PNG
(US10118915, Compound 435 | US9682966, 435)
Show SMILES Cc1noc(n1)-c1cc2cc(C)ccc2nc1N1CCC(CC1)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C24H29F2N5O/c1-15-3-4-21-17(13-15)14-20(23-27-16(2)30-32-23)22(29-21)31-11-7-19(8-12-31)28-18-5-9-24(25,26)10-6-18/h3-4,13-14,18-19,28H,5-12H2,1-2H3
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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 US9682966 (2017)


BindingDB Entry DOI: 10.7270/Q2610XHQ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%