Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with all data for entry = 6326   

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))	BDBM123322 (US8742106, 1.1) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1F)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-8-4-3-5-9-15)29-19(33)13-34-20-12-17(24(26,27)28)21-22(31-32(2)23(21)30-20)16-10-6-7-11-18(16)25/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	185	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	161	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123324 (US8742106, 1.3) Show SMILES Cn1nc(-c2ccccc2)c2c(cc(OCC(=O)N[C@H]3CCc4ccccc34)nc12)C(F)(F)F |r| Show InChI InChI=1S/C25H21F3N4O2/c1-32-24-22(23(31-32)16-8-3-2-4-9-16)18(25(26,27)28)13-21(30-24)34-14-20(33)29-19-12-11-15-7-5-6-10-17(15)19/h2-10,13,19H,11-12,14H2,1H3,(H,29,33)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	348	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123325 (US8742106, 1.4) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	8	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123326 (US8742106, 1.5) Show SMILES C[C@H](CNC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N4O2/c1-16(17-9-5-3-6-10-17)14-29-20(33)15-34-21-13-19(25(26,27)28)22-23(18-11-7-4-8-12-18)31-32(2)24(22)30-21/h3-13,16H,14-15H2,1-2H3,(H,29,33)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123328 (US8742106, 1.13) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O2/c1-16-14-21(30-15-20(29)25-17(2)18-10-6-4-7-11-18)26-24-22(16)23(27-28(24)3)19-12-8-5-9-13-19/h4-14,17H,15H2,1-3H3,(H,25,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	45	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123329 (US8742106, 1.16) Show SMILES CC(CCc1ccccc1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1 Show InChI InChI=1S/C26H28N4O2/c1-18-16-23(28-26-24(18)25(29-30(26)3)21-12-8-5-9-13-21)32-17-22(31)27-19(2)14-15-20-10-6-4-7-11-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	116	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123330 (US8742106, 1.17) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	64	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123331 (US8742106, 1.18) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	36	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123332 (US8742106, 1.19) Show SMILES COc1cccc(c1)-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(c12)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-8-5-4-6-9-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(31-32(2)24(22)30-21)17-10-7-11-18(12-17)34-3/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	101	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	299	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123334 (US8742106, 1.22) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(F)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-7-4-3-5-8-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-9-6-10-17(25)11-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	88	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123335 (US8742106, 1.23) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccc(F)cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-6-4-3-5-7-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-8-10-17(25)11-9-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	131	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123336 (US8742106, 1.24) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(C)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N4O2/c1-15-8-7-11-18(12-15)23-22-19(25(26,27)28)13-21(30-24(22)32(3)31-23)34-14-20(33)29-16(2)17-9-5-4-6-10-17/h4-13,16H,14H2,1-3H3,(H,29,33)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	48	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123337 (US8742106, 1.32) Show SMILES Cc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15-8-10-16(11-9-15)13-28-19(32)14-33-20-12-18(24(25,26)27)21-22(17-6-4-3-5-7-17)30-31(2)23(21)29-20/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123338 (US8742106, 1.38) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123339 (US8742106, 1.39) Show SMILES CCn1nccc1C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C23H23F3N6O2/c1-4-32-17(10-11-27-32)14(2)28-18(33)13-34-19-12-16(23(24,25)26)20-21(15-8-6-5-7-9-15)30-31(3)22(20)29-19/h5-12,14H,4,13H2,1-3H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	330	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123340 (US8742106, 1.41) Show SMILES COc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O3/c1-31-23-21(22(30-31)16-6-4-3-5-7-16)18(24(25,26)27)12-20(29-23)34-14-19(32)28-13-15-8-10-17(33-2)11-9-15/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123341 (US8742106, 1.45) Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	32	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	42	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123343 (US8742106, 1.48) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccc(C)cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N4O2/c1-15-9-11-18(12-10-15)23-22-19(25(26,27)28)13-21(30-24(22)32(3)31-23)34-14-20(33)29-16(2)17-7-5-4-6-8-17/h4-13,16H,14H2,1-3H3,(H,29,33)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	490	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123344 (US8742106, 1.49) Show SMILES COc1ccccc1-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(c12)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-5-4-6-10-16)29-20(33)14-35-21-13-18(25(26,27)28)22-23(31-32(2)24(22)30-21)17-11-7-8-12-19(17)34-3/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123345 (US8742106, 1.57) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(Cl)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20ClF3N4O2/c1-14(15-7-4-3-5-8-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-9-6-10-17(25)11-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	114	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123346 (US8742106, 1.58) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(Br)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20BrF3N4O2/c1-14(15-7-4-3-5-8-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-9-6-10-17(25)11-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	170	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	418	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123348 (US8742106, 1.61) Show SMILES Cn1nc(-c2cccc(F)c2)c2c(cc(OCC(=O)N[C@H]3CCc4ccccc34)nc12)C(F)(F)F |r| Show InChI InChI=1S/C25H20F4N4O2/c1-33-24-22(23(32-33)15-6-4-7-16(26)11-15)18(25(27,28)29)12-21(31-24)35-13-20(34)30-19-10-9-14-5-2-3-8-17(14)19/h2-8,11-12,19H,9-10,13H2,1H3,(H,30,34)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	204	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123349 (US8742106, 1.67) Show SMILES COc1ccc(cn1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3/c1-14(16-9-10-19(34-3)28-12-16)29-18(33)13-35-20-11-17(24(25,26)27)21-22(15-7-5-4-6-8-15)31-32(2)23(21)30-20/h4-12,14H,13H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	46	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123350 (US8742106, 1.70) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	26	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123351 (US8742106, 1.71) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1 |r| Show InChI InChI=1S/C22H26N4O3/c1-13-11-19(24-22-20(13)21(16-5-6-16)25-26(22)3)29-12-18(27)23-14(2)15-7-9-17(28-4)10-8-15/h7-11,14,16H,5-6,12H2,1-4H3,(H,23,27)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	105	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123352 (US8742106, 1.73) Show SMILES CC(Oc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](C)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N4O2/c1-15(17-10-6-4-7-11-17)29-24(33)16(2)34-20-14-19(25(26,27)28)21-22(18-12-8-5-9-13-18)31-32(3)23(21)30-20/h4-16H,1-3H3,(H,29,33)/t15-,16?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	225	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123353 (US8742106, 1.77) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccc(C)nc1 Show InChI InChI=1S/C24H22F3N5O2/c1-14-9-10-17(12-28-14)15(2)29-19(33)13-34-20-11-18(24(25,26)27)21-22(16-7-5-4-6-8-16)31-32(3)23(21)30-20/h4-12,15H,13H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	161	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123401 (US8742106, 6.77) Show SMILES C[C@H](NC(=O)COc1cc(c2c(cn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H22F3N3O2/c1-16(17-9-5-3-6-10-17)29-21(32)15-33-22-13-20(25(26,27)28)23-19(14-31(2)24(23)30-22)18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,29,32)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	501	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123322 (US8742106, 1.1) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1F)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-8-4-3-5-9-15)29-19(33)13-34-20-12-17(24(26,27)28)21-22(31-32(2)23(21)30-20)16-10-6-7-11-18(16)25/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	79	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	181	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123324 (US8742106, 1.3) Show SMILES Cn1nc(-c2ccccc2)c2c(cc(OCC(=O)N[C@H]3CCc4ccccc34)nc12)C(F)(F)F |r| Show InChI InChI=1S/C25H21F3N4O2/c1-32-24-22(23(31-32)16-8-3-2-4-9-16)18(25(26,27)28)13-21(30-24)34-14-20(33)29-19-12-11-15-7-5-6-10-17(15)19/h2-10,13,19H,11-12,14H2,1H3,(H,29,33)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	128	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123325 (US8742106, 1.4) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	4	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123326 (US8742106, 1.5) Show SMILES C[C@H](CNC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N4O2/c1-16(17-9-5-3-6-10-17)14-29-20(33)15-34-21-13-19(25(26,27)28)22-23(18-11-7-4-8-12-18)31-32(2)24(22)30-21/h3-13,16H,14-15H2,1-2H3,(H,29,33)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	76	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	8	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123328 (US8742106, 1.13) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O2/c1-16-14-21(30-15-20(29)25-17(2)18-10-6-4-7-11-18)26-24-22(16)23(27-28(24)3)19-12-8-5-9-13-19/h4-14,17H,15H2,1-3H3,(H,25,29)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	143	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123329 (US8742106, 1.16) Show SMILES CC(CCc1ccccc1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1 Show InChI InChI=1S/C26H28N4O2/c1-18-16-23(28-26-24(18)25(29-30(26)3)21-12-8-5-9-13-21)32-17-22(31)27-19(2)14-15-20-10-6-4-7-11-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	28	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123330 (US8742106, 1.17) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	121	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123331 (US8742106, 1.18) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15(16-9-5-3-6-10-16)28-19(32)14-33-20-13-18(24(25,26)27)21-22(17-11-7-4-8-12-17)30-31(2)23(21)29-20/h3-13,15H,14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	63	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123332 (US8742106, 1.19) Show SMILES COc1cccc(c1)-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(c12)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-8-5-4-6-9-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(31-32(2)24(22)30-21)17-10-7-11-18(12-17)34-3/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	855	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	187	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123334 (US8742106, 1.22) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(F)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-7-4-3-5-8-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-9-6-10-17(25)11-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	94	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123335 (US8742106, 1.23) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccc(F)cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C24H20F4N4O2/c1-14(15-6-4-3-5-7-15)29-19(33)13-34-20-12-18(24(26,27)28)21-22(31-32(2)23(21)30-20)16-8-10-17(25)11-9-16/h3-12,14H,13H2,1-2H3,(H,29,33)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	278	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123336 (US8742106, 1.24) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1cccc(C)c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H23F3N4O2/c1-15-8-7-11-18(12-15)23-22-19(25(26,27)28)13-21(30-24(22)32(3)31-23)34-14-20(33)29-16(2)17-9-5-4-6-10-17/h4-13,16H,14H2,1-3H3,(H,29,33)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	153	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123337 (US8742106, 1.32) Show SMILES Cc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15-8-10-16(11-9-15)13-28-19(32)14-33-20-12-18(24(25,26)27)21-22(17-6-4-3-5-7-17)30-31(2)23(21)29-20/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123338 (US8742106, 1.38) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	16	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
					More data for this Ligand-Target Pair

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