Compile Data Set for Download or QSAR

Found 4339 hits with Last Name = 'preville' and Initial = 'c'   

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))	BDBM314653 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES CC1C2CC(Oc3cnc4ccccc4c3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C25H24N6O2/c1-15-7-8-21(31-27-9-10-28-31)24(29-15)25(32)30-16(2)18-12-22(30)23(13-18)33-19-11-17-5-3-4-6-20(17)26-14-19/h3-11,14,16,18,22-23H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314618 (US9611262, Example 122 | US9611262, Example 196 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314652 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...) Show SMILES CC1C2CC(Oc3cnc4ccccc4n3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21FN6O2/c1-14-15-11-20(21(12-15)33-22-13-26-18-7-2-3-8-19(18)29-22)30(14)24(32)16-5-4-6-17(25)23(16)31-27-9-10-28-31/h2-10,13-15,20-21H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314629 (US9611262, Example 163 | [(1R,2R,4S,5R)-2-deuterio...) Show SMILES CC1C2CC(Oc3ccc(C)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C22H23N5O2/c1-14-7-8-21(23-13-14)29-20-12-16-11-19(20)26(15(16)2)22(28)17-5-3-4-6-18(17)27-24-9-10-25-27/h3-10,13,15-16,19-20H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314681 ((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...) Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:20:19:5.4:18,THB:6:5:19.2:18,1:2:5.4:18| Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163879 (US9062078, 11 | US9062078, 12A | US9062078, 12B | ...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	4
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) s...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314653 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES CC1C2CC(Oc3cnc4ccccc4c3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C25H24N6O2/c1-15-7-8-21(31-27-9-10-28-31)24(29-15)25(32)30-16(2)18-12-22(30)23(13-18)33-19-11-17-5-3-4-6-20(17)26-14-19/h3-11,14,16,18,22-23H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314665 (US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314618 (US9611262, Example 122 | US9611262, Example 196 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314618 (US9611262, Example 122 | US9611262, Example 196 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314639 (US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314503 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H20F4N6O/c1-12-13-9-17(30-19-6-5-14(11-27-19)22(24,25)26)18(10-13)31(12)21(33)15-3-2-4-16(23)20(15)32-28-7-8-29-32/h2-8,11-13,17-18H,9-10H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314503 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H20F4N6O/c1-12-13-9-17(30-19-6-5-14(11-27-19)22(24,25)26)18(10-13)31(12)21(33)15-3-2-4-16(23)20(15)32-28-7-8-29-32/h2-8,11-13,17-18H,9-10H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314443 ((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314415 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	4
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163879 (US9062078, 11 | US9062078, 12A | US9062078, 12B | ...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	4
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9695183 (2017) BindingDB Entry DOI: 10.7270/Q2N58JHM
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM64682 (US9475819, 10A) Show SMILES Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3/t15-,17+,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM65036 (US9475819, 12B) Show SMILES Fc1ccc(OC[C@H]2C[C@@H]3CC[C@H]2N3C(=O)c2ccccc2-c2cccs2)nc1 |r,THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2/t15-,17+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	4
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9475819 (2016) BindingDB Entry DOI: 10.7270/Q2DZ0771
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	n/a	4
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) s...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM163879 (US9062078, 11 | US9062078, 12A | US9062078, 12B | ...) Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13| Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314415 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	-50.3	n/a	n/a	n/a	n/a	n/a	n/a	40
JANSSEN PHARMACEUTICA NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...				US Patent US9062078 (2015) BindingDB Entry DOI: 10.7270/Q2RX99V3
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314415 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM326660 ((3-chloro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-(...) Show SMILES FC(F)(F)c1ccc(NC2CC3CCC2N3C(=O)c2cccc(Cl)c2-c2ncccn2)nc1 |THB:8:9:13.12:15| Show InChI InChI=1S/C23H19ClF3N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM326640 (((1S,2R,4R)-2-((5-bromopyridin-2-yl)amino)-7-azabi...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(Br)cn2)c1-n1nccn1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C21H21BrN6O/c1-13-3-2-4-16(20(13)28-24-9-10-25-28)21(29)27-15-6-7-18(27)17(11-15)26-19-8-5-14(22)12-23-19/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM326641 (((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...) Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-c1ncco1 |TLB:15:13:11.10:8| Show InChI InChI=1S/C21H20BrN5O2/c1-12-3-2-4-14(19(12)20-23-7-8-29-20)21(28)27-13-5-6-16(27)15(9-13)26-18-11-24-17(22)10-25-18/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM163876 (US9062078, 10A | US9062078, 10B | US9062078, 9 | U...) Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9| Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9637496 (2017) BindingDB Entry DOI: 10.7270/Q24J0H68
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314617 (US9611262, Example 121 | US9611262, Example 195 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314665 (US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314415 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314681 ((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...) Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:20:19:5.4:18,THB:6:5:19.2:18,1:2:5.4:18| Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314687 ((2-(pyrimidin-2-yl)phenyl)((1S,3R,4R,6R)-3-methyl-...) Show SMILES CC1C2CC(Oc3ccc(c(F)n3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:20:19:4.3:18,THB:5:4:19.1:18,0:1:4.3:18| Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-11-18(19(12-14)34-20-8-7-17(21(25)31-20)24(26,27)28)32(13)23(33)16-6-3-2-5-15(16)22-29-9-4-10-30-22/h2-10,13-14,18-19H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314627 ((5-methyl-3-pyrimidin-2-yl-2-pyridyl)-[(1R,2R,4S,5...) Show SMILES CC1C2CCC(C(C2)Oc2ccc(cn2)C(F)(F)F)N1C(=O)c1ncc(C)cc1-c1ncccn1 |TLB:0:1:6.7:3.4,THB:8:6:3.4:1.19,20:19:6.7:3.4| Show InChI InChI=1S/C25H24F3N5O2/c1-14-10-18(23-29-8-3-9-30-23)22(32-12-14)24(34)33-15(2)16-4-6-19(33)20(11-16)35-21-7-5-17(13-31-21)25(26,27)28/h3,5,7-10,12-13,15-16,19-20H,4,6,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314432 ((R/S)-(5-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncc(C)cc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H21F3N6O2/c1-12-7-17(31-28-5-6-29-31)20(27-10-12)21(32)30-13(2)14-8-16(30)18(9-14)33-19-4-3-15(11-26-19)22(23,24)25/h3-7,10-11,13-14,16,18H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314618 (US9611262, Example 122 | US9611262, Example 196 | ...) Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314652 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...) Show SMILES CC1C2CC(Oc3cnc4ccccc4n3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21FN6O2/c1-14-15-11-20(21(12-15)33-22-13-26-18-7-2-3-8-19(18)29-22)30(14)24(32)16-5-4-6-17(25)23(16)31-27-9-10-28-31/h2-10,13-15,20-21H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314465 ((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1c(F)cccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H19F4N5O2/c1-12-13-9-17(18(10-13)33-19-6-5-14(11-27-19)22(24,25)26)30(12)21(32)20-15(23)3-2-4-16(20)31-28-7-8-29-31/h2-8,11-13,17-18H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314436 ((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314470 ((5-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)((1S*,3R*...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncc(C)cc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C24H22F3N5O2/c1-13-8-17(22-28-6-3-7-29-22)21(31-11-13)23(33)32-14(2)15-9-18(32)19(10-15)34-20-5-4-16(12-30-20)24(25,26)27/h3-8,11-12,14-15,18-19H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314500 (((1S*,3R*,4S*,6R*)-3-methyl-6-((5-(trifluoromethyl...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C23H21F3N6O/c1-13-14-10-17(31-19-6-5-15(12-30-19)23(24,25)26)18(11-14)32(13)22(33)20-16(4-2-7-27-20)21-28-8-3-9-29-21/h2-9,12-14,17-18H,10-11H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314496 ((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314502 ((3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((1S*,3R*,4...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-9-15(29-18-5-4-14(11-26-18)21(22,23)24)17(10-13)30(12)20(32)19-16(3-2-6-25-19)31-27-7-8-28-31/h2-8,11-13,15,17H,9-10H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314502 ((3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((1S*,3R*,4...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-9-15(29-18-5-4-14(11-26-18)21(22,23)24)17(10-13)30(12)20(32)19-16(3-2-6-25-19)31-27-7-8-28-31/h2-8,11-13,15,17H,9-10H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314422 ((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...) Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair

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