Compile Data Set for Download or QSAR

Found 1187 hits with Last Name = 'robinson' and Initial = 'js'   

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
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256877 (US9493432, 1) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1cnc2ccccc2n1 |r| Show InChI InChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256955 (US9493432, 81) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H20F2N6OS/c1-29(21(31)15-11-13(23)6-8-18(15)30-25-9-10-26-30)19-4-2-3-16(19)27-22-28-17-7-5-14(24)12-20(17)32-22/h5-12,16,19H,2-4H2,1H3,(H,27,28)/t16-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256954 (US9493432, 80) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C22H21FN6OS/c1-28(21(30)15-5-2-3-7-18(15)29-24-11-12-25-29)19-8-4-6-16(19)26-22-27-17-10-9-14(23)13-20(17)31-22/h2-3,5,7,9-13,16,19H,4,6,8H2,1H3,(H,26,27)/t16-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256953 (US9493432, 79) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1cccn1 |r| Show InChI InChI=1S/C23H22FN5OS/c1-28(22(30)16-6-2-3-8-19(16)29-13-5-12-25-29)20-9-4-7-17(20)26-23-27-18-11-10-15(24)14-21(18)31-23/h2-3,5-6,8,10-14,17,20H,4,7,9H2,1H3,(H,26,27)/t17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256957 (US9493432, 83) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1nc(C)no1 |r| Show InChI InChI=1S/C23H22FN5O2S/c1-13-25-21(31-28-13)15-6-3-4-7-16(15)22(30)29(2)19-9-5-8-17(19)26-23-27-18-11-10-14(24)12-20(18)32-23/h3-4,6-7,10-12,17,19H,5,8-9H2,1-2H3,(H,26,27)/t17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256879 (US9493432, 3) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S/c1-27-16-7-4-8-17(28-2)19(16)20(26)23-13-5-3-6-14(13)24-21-25-15-10-9-12(22)11-18(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256910 (US9493432, 34) Show SMILES COc1cccc(OC)c1C(=O)N(C)[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H24FN3O3S/c1-26(21(27)20-17(28-2)8-5-9-18(20)29-3)16-7-4-6-14(16)24-22-25-15-11-10-13(23)12-19(15)30-22/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,25)/t14-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185336 (US10011588, Example 158 | US10689373, Example 158 ...) Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256949 (US9493432, 75) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1 |r| Show InChI InChI=1S/C21H19FN6OS/c22-13-8-9-17-19(12-13)30-21(27-17)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185336 (US10011588, Example 158 | US10689373, Example 158 ...) Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185336 (US10011588, Example 158 | US10689373, Example 158 ...) Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185275 (US10011588, Example 91 | US10689373, Example 91 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185275 (US10011588, Example 91 | US10689373, Example 91 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185275 (US10011588, Example 91 | US10689373, Example 91 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256911 (US9493432, 35) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3cccn3)sc2c1 |r| Show InChI InChI=1S/C22H20FN5OS/c23-14-9-10-18-20(13-14)30-22(27-18)26-17-7-3-6-16(17)25-21(29)15-5-1-2-8-19(15)28-12-4-11-24-28/h1-2,4-5,8-13,16-17H,3,6-7H2,(H,25,29)(H,26,27)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185325 (US10011588, Example 146 | US10689373, Example 146 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185265 (US10011588, Example 81 | US10689373, Example 81 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185325 (US10011588, Example 146 | US10689373, Example 146 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185265 (US10011588, Example 81 | US10689373, Example 81 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185265 (US10011588, Example 81 | US10689373, Example 81 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185325 (US10011588, Example 146 | US10689373, Example 146 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256979 (US9493432, 107) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1nc2ccc(F)cc2s1 Show InChI InChI=1S/C22H21FN6OS/c1-22(28-21-26-16-9-8-14(23)13-18(16)31-21)10-4-7-19(22)27-20(30)15-5-2-3-6-17(15)29-24-11-12-25-29/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3,(H,26,28)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185332 (US10011588, Example 155 | US10689373, Example 155 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185271 (US10011588, Example 87 | US10689373, Example 87 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185276 (US10011588, Example 92 | US10689373, Example 92 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185287 (US10011588, Example 103 | US10689373, Example 103 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-13(21)10-12(11-26-17)20(22,23)24)6-2-5-15(19)29-18(32)16-14(4-3-7-25-16)31-27-8-9-28-31/h3-4,7-11,15H,2,5-6H2,1H3,(H,26,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185271 (US10011588, Example 87 | US10689373, Example 87 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185276 (US10011588, Example 92 | US10689373, Example 92 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185287 (US10011588, Example 103 | US10689373, Example 103 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-13(21)10-12(11-26-17)20(22,23)24)6-2-5-15(19)29-18(32)16-14(4-3-7-25-16)31-27-8-9-28-31/h3-4,7-11,15H,2,5-6H2,1H3,(H,26,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185332 (US10011588, Example 155 | US10689373, Example 155 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185287 (US10011588, Example 103 | US10689373, Example 103 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-13(21)10-12(11-26-17)20(22,23)24)6-2-5-15(19)29-18(32)16-14(4-3-7-25-16)31-27-8-9-28-31/h3-4,7-11,15H,2,5-6H2,1H3,(H,26,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185276 (US10011588, Example 92 | US10689373, Example 92 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185332 (US10011588, Example 155 | US10689373, Example 155 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185271 (US10011588, Example 87 | US10689373, Example 87 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256912 (US9493432, 36) Show SMILES Fc1ccc(c(c1)C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)-n1nccn1 |r| Show InChI InChI=1S/C21H18F2N6OS/c22-12-5-7-18(29-24-8-9-25-29)14(10-12)20(30)26-15-2-1-3-16(15)27-21-28-17-6-4-13(23)11-19(17)31-21/h4-11,15-16H,1-3H2,(H,26,30)(H,27,28)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM347773 (US9790220, Example 6) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ncccc3-n3nccn3)sc2c1 |r| Show InChI InChI=1S/C20H18FN7OS/c21-12-6-7-15-17(11-12)30-20(27-15)26-14-4-1-3-13(14)25-19(29)18-16(5-2-8-22-18)28-23-9-10-24-28/h2,5-11,13-14H,1,3-4H2,(H,25,29)(H,26,27)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9790220 (2017) BindingDB Entry DOI: 10.7270/Q2FF3VHB
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185324 (US10011588, Example 145 | US10689373, Example 145 ...) Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185334 (US10011588, Example 156 | US10689373, Example 156 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O/c1-21(31-17-8-7-14(13-29-17)22(23,24)25)9-2-6-16(21)30-20(32)18-15(5-3-10-26-18)19-27-11-4-12-28-19/h3-5,7-8,10-13,16H,2,6,9H2,1H3,(H,29,31)(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185324 (US10011588, Example 145 | US10689373, Example 145 ...) Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256935 (US9493432, 59) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)[nH]c2c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185324 (US10011588, Example 145 | US10689373, Example 145 ...) Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N[C@H]1CCC[C@]1(C)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N6O2/c1-12-27-19(32-30-12)14-7-4-3-6-13(14)18(31)28-15-8-5-9-20(15,2)29-17-11-25-16(10-26-17)21(22,23)24/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,26,29)(H,28,31)/t15-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185334 (US10011588, Example 156 | US10689373, Example 156 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O/c1-21(31-17-8-7-14(13-29-17)22(23,24)25)9-2-6-16(21)30-20(32)18-15(5-3-10-26-18)19-27-11-4-12-28-19/h3-5,7-8,10-13,16H,2,6,9H2,1H3,(H,29,31)(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256913 (US9493432, 37) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3Cl)sc2c1 |r| Show InChI InChI=1S/C19H17ClFN3OS/c20-13-5-2-1-4-12(13)18(25)22-14-6-3-7-15(14)23-19-24-16-9-8-11(21)10-17(16)26-19/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,22,25)(H,23,24)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185334 (US10011588, Example 156 | US10689373, Example 156 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O/c1-21(31-17-8-7-14(13-29-17)22(23,24)25)9-2-6-16(21)30-20(32)18-15(5-3-10-26-18)19-27-11-4-12-28-19/h3-5,7-8,10-13,16H,2,6,9H2,1H3,(H,29,31)(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185321 (US10011588, Example 142 | US10689373, Example 142 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-n2nccn2)c(n1)C1CC1 |r| Show InChI InChI=1S/C21H21F3N8O/c22-21(23,24)16-11-26-19(17(31-16)12-6-7-12)29-13-3-1-4-14(13)30-20(33)18-15(5-2-8-25-18)32-27-9-10-28-32/h2,5,8-14H,1,3-4,6-7H2,(H,26,29)(H,30,33)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185261 (US10011588, Example 77 | US10689373, Example 77 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C19H19F3N8O/c1-18(29-15-11-24-14(10-25-15)19(20,21)22)6-2-5-13(18)28-17(31)16-12(4-3-7-23-16)30-26-8-9-27-30/h3-4,7-11,13H,2,5-6H2,1H3,(H,25,29)(H,28,31)/t13-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185321 (US10011588, Example 142 | US10689373, Example 142 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-n2nccn2)c(n1)C1CC1 |r| Show InChI InChI=1S/C21H21F3N8O/c22-21(23,24)16-11-26-19(17(31-16)12-6-7-12)29-13-3-1-4-14(13)30-20(33)18-15(5-2-8-25-18)32-27-9-10-28-32/h2,5,8-14H,1,3-4,6-7H2,(H,26,29)(H,30,33)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185313 (US10011588, Example 132 | US10689373, Example 132 ...) Show SMILES Fc1cc(cnc1N[C@H]1CC(F)(F)C[C@@H]1NC(=O)c1ccccc1-n1nccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N6O/c21-13-7-11(20(24,25)26)10-27-17(13)30-14-8-19(22,23)9-15(14)31-18(33)12-3-1-2-4-16(12)32-28-5-6-29-32/h1-7,10,14-15H,8-9H2,(H,27,30)(H,31,33)/t14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185321 (US10011588, Example 142 | US10689373, Example 142 ...) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2-n2nccn2)c(n1)C1CC1 |r| Show InChI InChI=1S/C21H21F3N8O/c22-21(23,24)16-11-26-19(17(31-16)12-6-7-12)29-13-3-1-4-14(13)30-20(33)18-15(5-2-8-25-18)32-27-9-10-28-32/h2,5,8-14H,1,3-4,6-7H2,(H,26,29)(H,30,33)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair

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