Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 2288   

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 (Rattus norvegicus (Rat))	BDBM360351 (US9828368, Example 13 | US9828368, Example 14 | US...) Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360364 (US9828368, Example 25) Show SMILES C[C@@H]1CCC(CN1C(=O)c1ccsc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C20H25N5O3S/c1-12-5-6-14(17-23-16(13(2)28-17)20(3,4)27)11-24(12)18(26)15-7-10-29-19(15)25-21-8-9-22-25/h7-10,12,14,27H,5-6,11H2,1-4H3/t12-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360376 (US9828368, Example 35) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C20H25N5O3S/c1-12-5-6-14(18-23-17(13(2)28-18)20(3,4)27)9-24(12)19(26)15-10-29-11-16(15)25-21-7-8-22-25/h7-8,10-12,14,27H,5-6,9H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360366 (US9828368, Example 27) Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C22H30N2O4/c1-6-27-18-10-8-7-9-17(18)21(25)24-13-16(12-11-14(24)2)20-23-19(15(3)28-20)22(4,5)26/h7-10,14,16,26H,6,11-13H2,1-5H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360351 (US9828368, Example 13 | US9828368, Example 14 | US...) Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50108616 (CHEMBL3597957 | US9828368, Example 24) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C21H26N6O3/c1-13-9-10-15(19-24-18(14(2)30-19)21(3,4)29)11-26(13)20(28)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,29H,9-11H2,1-4H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360356 (US9828368, Example 18 | US9828368, Example 19) Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(C)=O |r| Show InChI InChI=1S/C22H27N5O5/c1-4-32-22(31)19(15(3)28)25-20(29)16-10-9-14(2)26(13-16)21(30)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H,25,29)/t14-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360367 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1nc(c(C)o1)C(C)(C)O Show InChI InChI=1S/C21H25F3N2O4/c1-12-9-10-14(18-25-17(13(2)29-18)20(3,4)28)11-26(12)19(27)15-7-5-6-8-16(15)30-21(22,23)24/h5-8,12,14,28H,9-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360382 (US9828368, Example 38) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C21H27F2N3O4/c1-12-7-8-14(18-25-17(13(2)30-18)21(3,4)28)10-26(12)20(27)15-6-5-9-24-19(15)29-11-16(22)23/h5-6,9,12,14,16,28H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360396 (US9828368, Example 48 | US9828368, Example 49) Show SMILES CC[C@@](C)(O)c1nc(oc1C)C1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1 |r| Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)17-14(3)29-18(24-17)15-7-6-13(2)25(12-15)19(27)16-8-11-30-20(16)26-22-9-10-23-26/h8-11,13,15,28H,5-7,12H2,1-4H3/t13-,15?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360845 (Cyclobutyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, ...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1ncc(o1)C1CCC1 Show InChI InChI=1S/C22H25N5O2/c1-15-9-10-17(21-23-13-20(29-21)16-5-4-6-16)14-26(15)22(28)18-7-2-3-8-19(18)27-24-11-12-25-27/h2-3,7-8,11-13,15-17H,4-6,9-10,14H2,1H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360396 (US9828368, Example 48 | US9828368, Example 49) Show SMILES CC[C@@](C)(O)c1nc(oc1C)C1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1 |r| Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)17-14(3)29-18(24-17)15-7-6-13(2)25(12-15)19(27)16-8-11-30-20(16)26-22-9-10-23-26/h8-11,13,15,28H,5-7,12H2,1-4H3/t13-,15?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360359 (US9828368, Example 20) Show SMILES Cc1oc(nc1C(C)(C)O)[C@@H]1CCCN(C1)C(=O)c1ccccc1C1(CC1)C#N |r| Show InChI InChI=1S/C23H27N3O3/c1-15-19(22(2,3)28)25-20(29-15)16-7-6-12-26(13-16)21(27)17-8-4-5-9-18(17)23(14-24)10-11-23/h4-5,8-9,16,28H,6-7,10-13H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360351 (US9828368, Example 13 | US9828368, Example 14 | US...) Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360384 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1nc(c(C)o1)C(C)(C)O Show InChI InChI=1S/C21H26F3N3O4/c1-12-7-8-14(17-26-16(13(2)31-17)20(3,4)29)10-27(12)19(28)15-6-5-9-25-18(15)30-11-21(22,23)24/h5-6,9,12,14,29H,7-8,10-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM330343 (1-(3-{[(3R,6R)- 1-{[6-methoxy- 2-(2H-1,2,3- triazo...) Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cccc(c2)C(C)O)c(n1)-n1nccn1 Show InChI InChI=1S/C23H27N5O4/c1-15-7-8-19(32-18-6-4-5-17(13-18)16(2)29)14-27(15)23(30)20-9-10-21(31-3)26-22(20)28-24-11-12-25-28/h4-6,9-13,15-16,19,29H,7-8,14H2,1-3H3/t15-,16?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360395 ((4-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...) Show SMILES CC[C@@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1 Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)18-14(3)29-19(24-18)15-7-6-13(2)25(10-15)20(27)16-11-30-12-17(16)26-22-8-9-23-26/h8-9,11-13,15,28H,5-7,10H2,1-4H3/t13-,15-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360351 (US9828368, Example 13 | US9828368, Example 14 | US...) Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360381 (US9828368, Example 37) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C22H26FN5O3/c1-13-5-6-15(20-26-19(14(2)31-20)22(3,4)30)12-27(13)21(29)17-8-7-16(23)11-18(17)28-24-9-10-25-28/h7-11,13,15,30H,5-6,12H2,1-4H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360368 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...) Show SMILES CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O Show InChI InChI=1S/C23H32N2O4/c1-14(2)28-19-10-8-7-9-18(19)22(26)25-13-17(12-11-15(25)3)21-24-20(16(4)29-21)23(5,6)27/h7-10,14-15,17,27H,11-13H2,1-6H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM360351 (US9828368, Example 13 | US9828368, Example 14 | US...) Show SMILES COC(=O)c1nc(oc1Br)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C20H20BrN5O4/c1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360372 (US9828368, Example 33) Show SMILES COC(=O)c1ccccc1C(=O)N1CC(CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C22H28N2O5/c1-13-10-11-15(19-23-18(14(2)29-19)22(3,4)27)12-24(13)20(25)16-8-6-7-9-17(16)21(26)28-5/h6-9,13,15,27H,10-12H2,1-5H3/t13-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360356 (US9828368, Example 18 | US9828368, Example 19) Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(C)=O |r| Show InChI InChI=1S/C22H27N5O5/c1-4-32-22(31)19(15(3)28)25-20(29)16-10-9-14(2)26(13-16)21(30)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H,25,29)/t14-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360391 (US9828368, Example 44 | US9828368, Example 45) Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H29N5O3/c1-5-23(4,30)20-16(3)31-21(26-20)17-11-10-15(2)27(14-17)22(29)18-8-6-7-9-19(18)28-24-12-13-25-28/h6-9,12-13,15,17,30H,5,10-11,14H2,1-4H3/t15-,17-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360369 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...) Show SMILES COc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O Show InChI InChI=1S/C21H28N2O4/c1-13-10-11-15(19-22-18(14(2)27-19)21(3,4)25)12-23(13)20(24)16-8-6-7-9-17(16)26-5/h6-9,13,15,25H,10-12H2,1-5H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360385 (((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-5- methyloxaz...) Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O Show InChI InChI=1S/C22H31N3O4/c1-13(2)28-20-17(8-7-11-23-20)21(26)25-12-16(10-9-14(25)3)19-24-18(15(4)29-19)22(5,6)27/h7-8,11,13-14,16,27H,9-10,12H2,1-6H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360340 ((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4-(2-...) Show SMILES CCc1ccccc1-c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C26H27N5O2/c1-3-19-8-4-5-9-21(19)23-17-33-25(29-23)20-13-12-18(2)30(16-20)26(32)22-10-6-7-11-24(22)31-27-14-15-28-31/h4-11,14-15,17-18,20H,3,12-13,16H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360432 (US9828368, Example 73) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)C(=O)NCC(=O)C(C)(C)C |r| Show InChI InChI=1S/C22H29N5O3/c1-15-9-10-16(20(29)23-13-19(28)22(2,3)4)14-26(15)21(30)17-7-5-6-8-18(17)27-24-11-12-25-27/h5-8,11-12,15-16H,9-10,13-14H2,1-4H3,(H,23,29)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360350 (US9828368, Example 12) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(Br)o1 |r| Show InChI InChI=1S/C29H35BrN6O7/c1-17-12-13-18(16-34(17)24(37)19-10-8-9-11-20(19)36-31-14-15-32-36)23-33-21(22(30)41-23)25(38)35(26(39)42-28(2,3)4)27(40)43-29(5,6)7/h8-11,14-15,17-18H,12-13,16H2,1-7H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360390 (US9828368, Example 43) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)sc1-n1nccn1)c1nc(C)c(o1)C(C)(C)O |r| Show InChI InChI=1S/C21H27N5O3S/c1-12-6-7-15(18-24-14(3)17(29-18)21(4,5)28)11-25(12)19(27)16-10-13(2)30-20(16)26-22-8-9-23-26/h8-10,12,15,28H,6-7,11H2,1-5H3/t12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360391 (US9828368, Example 44 | US9828368, Example 45) Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H29N5O3/c1-5-23(4,30)20-16(3)31-21(26-20)17-11-10-15(2)27(14-17)22(29)18-8-6-7-9-19(18)28-24-12-13-25-28/h6-9,12-13,15,17,30H,5,10-11,14H2,1-4H3/t15-,17-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360419 (US9828368, Example 67 | US9828368, Example 70) Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360846 (US9828368, Example 76 | cyclopropyl (2-(2H-1,2,3-T...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1ncc(o1)C1CC1 Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-16(20-22-12-19(28-20)15-8-9-15)13-25(14)21(27)17-4-2-3-5-18(17)26-23-10-11-24-26/h2-5,10-12,14-16H,6-9,13H2,1H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360394 ((4-(2H-1,2,3-triazol-2-yl)thiophen-3- yl)((2R,5R)-...) Show SMILES CC[C@](C)(O)c1nc(oc1C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1 Show InChI InChI=1S/C21H27N5O3S/c1-5-21(4,28)18-14(3)29-19(24-18)15-7-6-13(2)25(10-15)20(27)16-11-30-12-17(16)26-22-8-9-23-26/h8-9,11-13,15,28H,5-7,10H2,1-4H3/t13-,15-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM360419 (US9828368, Example 67 | US9828368, Example 70) Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360355 (US9828368, Example 17) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)-c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-17-11-12-19(23-27-21(16-31-23)18-7-3-2-4-8-18)15-28(17)24(30)20-9-5-6-10-22(20)29-25-13-14-26-29/h2-10,13-14,16-17,19H,11-12,15H2,1H3/t17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360401 (US9828368, Example 54) Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(O)(O)C(F)(F)F |r| Show InChI InChI=1S/C22H26F3N5O6/c1-3-36-20(33)17(21(34,35)22(23,24)25)28-18(31)14-9-8-13(2)29(12-14)19(32)15-6-4-5-7-16(15)30-26-10-11-27-30/h4-7,10-11,13-14,17,34-35H,3,8-9,12H2,1-2H3,(H,28,31)/t13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360365 (((2R, 5R)-5-(4-(2-Hydroxypropan-2- yl)-5-methyloxa...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O Show InChI InChI=1S/C22H26N4O3S/c1-13-6-7-15(20-25-18(14(2)29-20)22(3,4)28)12-26(13)21(27)16-8-11-30-17(16)19-23-9-5-10-24-19/h5,8-11,13,15,28H,6-7,12H2,1-4H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360400 (US9828368, Example 53) Show SMILES CCOC(=O)C(NC(=O)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)C(=O)C(F)F |r| Show InChI InChI=1S/C22H25F2N5O5/c1-3-34-22(33)17(18(30)19(23)24)27-20(31)14-9-8-13(2)28(12-14)21(32)15-6-4-5-7-16(15)29-25-10-11-26-29/h4-7,10-11,13-14,17,19H,3,8-9,12H2,1-2H3,(H,27,31)/t13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM360340 ((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4-(2-...) Show SMILES CCc1ccccc1-c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C26H27N5O2/c1-3-19-8-4-5-9-21(19)23-17-33-25(29-23)20-13-12-18(2)30(16-20)26(32)22-10-6-7-11-24(22)31-27-14-15-28-31/h4-11,14-15,17-18,20H,3,12-13,16H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360339 ((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(4- cy...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)C1CC1 Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-16(20-24-18(13-28-20)15-8-9-15)12-25(14)21(27)17-4-2-3-5-19(17)26-22-10-11-23-26/h2-5,10-11,13-16H,6-9,12H2,1H3/t14-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360336 (US9828368, Example 2) Show SMILES COC(=O)C1CC1c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H25N5O4/c1-14-7-8-15(21-26-19(13-32-21)17-11-18(17)23(30)31-2)12-27(14)22(29)16-5-3-4-6-20(16)28-24-9-10-25-28/h3-6,9-10,13-15,17-18H,7-8,11-12H2,1-2H3/t14-,15-,17?,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM360844 (Phenyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, 5R)-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1ncc(o1)-c1ccccc1 Show InChI InChI=1S/C24H23N5O2/c1-17-11-12-19(23-25-15-22(31-23)18-7-3-2-4-8-18)16-28(17)24(30)20-9-5-6-10-21(20)29-26-13-14-27-29/h2-10,13-15,17,19H,11-12,16H2,1H3/t17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360373 (US9828368, Example 34) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C24H28N4O3/c1-15-10-11-17(22-27-20(16(2)31-22)24(3,4)30)14-28(15)23(29)19-9-6-5-8-18(19)21-25-12-7-13-26-21/h5-9,12-13,15,17,30H,10-11,14H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360380 (US9828368, Example 36) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C22H26N4O3S/c1-13-6-7-15(20-25-18(14(2)29-20)22(3,4)28)10-26(13)21(27)17-12-30-11-16(17)19-23-8-5-9-24-19/h5,8-9,11-13,15,28H,6-7,10H2,1-4H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360387 (US9828368, Example 41) Show SMILES COCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nc(c(C)o1)C(C)(C)O |r| Show InChI InChI=1S/C23H32N2O4/c1-15-10-11-18(21-24-20(16(2)29-21)23(3,4)27)14-25(15)22(26)19-9-7-6-8-17(19)12-13-28-5/h6-9,15,18,27H,10-14H2,1-5H3/t15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360347 (US9828368, Example 10) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(C#N)c(N)o1 Show InChI InChI=1S/C19H19N7O2/c1-12-6-7-13(18-24-15(10-20)17(21)28-18)11-25(12)19(27)14-4-2-3-5-16(14)26-22-8-9-23-26/h2-5,8-9,12-13H,6-7,11,21H2,1H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM360845 (Cyclobutyl (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R, ...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1ncc(o1)C1CCC1 Show InChI InChI=1S/C22H25N5O2/c1-15-9-10-17(21-23-13-20(29-21)16-5-4-6-16)14-26(15)22(28)18-7-2-3-8-19(18)27-24-11-12-25-27/h2-3,7-8,11-13,15-17H,4-6,9-10,14H2,1H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360419 (US9828368, Example 67 | US9828368, Example 70) Show SMILES COC(=O)Cc1nc(oc1-c1ccccc1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C27H27N5O4/c1-18-12-13-20(17-31(18)27(34)21-10-6-7-11-23(21)32-28-14-15-29-32)26-30-22(16-24(33)35-2)25(36-26)19-8-4-3-5-9-19/h3-11,14-15,18,20H,12-13,16-17H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM360354 (US9828368, Example 16) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(co1)C(C)(C)C |r| Show InChI InChI=1S/C22H27N5O2/c1-15-9-10-16(20-25-19(14-29-20)22(2,3)4)13-26(15)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-12,14-16H,9-10,13H2,1-4H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				US Patent US9828368 (2017) BindingDB Entry DOI: 10.7270/Q2JD503Z
					More data for this Ligand-Target Pair

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