Compile Data Set for Download or QSAR

Found 2711 hits with Last Name = 'guerrero' and Initial = 'ma'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156516 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156516 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156523 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156507 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156526 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156547 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156557 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156570 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156558 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156558 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450934 (US10676469, Compound 174 | US11124504, Cpd. No. 17...) Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)NC1CCOCC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156607 (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-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
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))	BDBM298125 (US10118915, Compound 385) Show SMILES CC(C)OC(=O)c1cc(C)nnc1N1CCC(CC1)NC1CCCCC1 Show InChI InChI=1S/C20H32N4O2/c1-14(2)26-20(25)18-13-15(3)22-23-19(18)24-11-9-17(10-12-24)21-16-7-5-4-6-8-16/h13-14,16-17,21H,4-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM156525 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute US Patent					Assay Description Well-known assay for kappa opioid receptor				US Patent US10118915 (2018) BindingDB Entry DOI: 10.7270/Q23J3G00
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450862 (US10676469, Compound 120 | US11124504, Cpd. No. 12...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450861 (US10676469, Compound 119 | US11124504, Cpd. No. 11...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(C)cc(F)c2nc1N1CCC(CC1)N[C@@H]1CCCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450855 (US10676469, Compound 113 | US11124504, Cpd. No. 11...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)N[C@H]1CCCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450854 (US10676469, Compound 112 | US11124504, Cpd. No. 11...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CC(F)(F)F)cc(C#N)c2nc1N1CCC(CC1)N[C@@H]1CCCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450843 (US10676469, Compound 101 | US11124504, Cpd. No. 10...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450842 (US10676469, Compound 100 | US11124504, Cpd. No. 10...) Show SMILES Cc1noc(n1)-c1c(C)c2cc(CCF)cc(F)c2nc1N1CCC(CC1)N[C@H]1CCCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450936 (US10676469, Compound 176 | US11124504, Cpd. No. 17...) Show SMILES C[C@@H]1C[C@H](CCN1c1nc2c(Cl)cc(C)cc2c(C)c1-c1nc(C)no1)N[C@H]1CCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450937 (US10676469, Compound 181 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC1CCOCC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450938 (US10676469, Compound 182 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)N[C@H]1CCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450939 (US10676469, Compound 183 | US11124504, Cpd. No. 18...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)N[C@@H]1CCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450946 (US10676469, Compound 190 | US11124504, Cpd. No. 19...) Show SMILES CCc1cc(Cl)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450947 (US10676469, Compound 191 | US11124504, Cpd. No. 19...) Show SMILES CCc1cc(Cl)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450950 (US10676469, Compound 213 | US11124504, Cpd. No. 21...) Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450952 (US10676469, Compound 215 | US11124504, Cpd. No. 21...) Show SMILES CCc1cc(C#N)c2nc(N3CC[C@H](C[C@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450932 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450959 (US10676469, Compound 243 | US11124504, Cpd. No. 24...) Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@@H]3C)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450964 (US10676469, Compound 246 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC[C@H]1CCCO1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450965 (US10676469, Compound 247 | US11124504, Cpd. No. 24...) Show SMILES C[C@@H]1C[C@@H](CCN1c1nc2c(cc(C)cc2c(C)c1-c1nc(C)no1)C#N)NC[C@@H]1CCCO1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531908 (Btrx-335140 | CYM-53093 | US10676469, Compound 142...) 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531915 (CHEMBL4440683 | US10676469, Compound 144 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531916 (CHEMBL4456582 | US10676469, Compound 145 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531919 (CHEMBL4549826 | US10676469, Compound 146 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50531921 (CHEMBL4544914 | US10676469, Compound 148 | US11124...) Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)N[C@@H]3CCCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450886 (US10676469, Compound 157 | US11124504, Cpd. No. 15...) Show SMILES CCc1cc2c(C)c(-c3nc(C)no3)c(nc2c(F)c1F)N1CCC(CC1)N[C@H]1CCCOC1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM450901 (US10676469, Compound 195 | US11124504, Cpd. No. 19...) Show SMILES CCc1cc(F)c2nc(N3CC[C@H](C[C@H]3C)N[C@H]3CCOC3)c(-c3nc(C)no3)c(C)c2c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q26W9F41
					More data for this Ligand-Target Pair

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