Compile Data Set for Download or QSAR

Found 990 hits Enz. Inhib. hit(s) with all data for entry = 1295   

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))	BDBM314889 ((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(33)32-12-13-9-17(18(32)10-13)31-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2,(H,30,31)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143797 (US10183953, Example 58 | US8969352, 58 | US9611277...) Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2 |TLB:20:19:15.16:32,13:15:19.18:32| Show InChI InChI=1S/C23H19F4N5O/c24-15-3-4-16(21-28-6-1-7-29-21)17(10-15)22(33)32-12-13-8-18(19(32)9-13)31-20-5-2-14(11-30-20)23(25,26)27/h1-7,10-11,13,18-19H,8-9,12H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314987 (((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...) Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Nc3ccc(Br)cn3)C1C2 |TLB:20:19:15.16:29,13:15:19.18:29| Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314985 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...) Show SMILES Brc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C20H19BrN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314986 (((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22| Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315089 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Clc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20ClN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143755 (US10183953, Example 35 | US8969352, 16 | US8969352...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H17F4N5O2/c22-15-3-1-2-14(19(15)30-27-6-7-28-30)20(31)29-11-12-8-16(29)17(9-12)32-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143755 (US10183953, Example 35 | US8969352, 16 | US8969352...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H17F4N5O2/c22-15-3-1-2-14(19(15)30-27-6-7-28-30)20(31)29-11-12-8-16(29)17(9-12)32-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143787 (US10183953, Example 48 | US8969352, 48 | US9611277...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22| Show InChI InChI=1S/C22H18BrFN4O2/c23-14-5-6-19(27-11-14)30-18-10-13-9-17(18)28(12-13)22(29)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143792 (US10183953, Example 53 | US8969352, 53 | US9611277...) Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143792 (US10183953, Example 53 | US8969352, 53 | US9611277...) Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143794 (US10183953, Example 55 | US8969352, 55 | US9611277...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143794 (US10183953, Example 55 | US8969352, 55 | US9611277...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143756 (US10183953, Example 17 | US8969352, 17 | US9611277...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C22H20F3N5O2/c1-13-3-2-4-16(20(13)30-27-7-8-28-30)21(31)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314847 ((3-methyl-2-(oxazol-2-yl)phenyl)((1S,4R,6R)-6-((5-...) Show SMILES Cc1ccc(OC2CC3CC2N(C3)C(=O)c2cccc(C)c2-c2ncco2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143792 (US10183953, Example 53 | US8969352, 53 | US9611277...) Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143794 (US10183953, Example 55 | US8969352, 55 | US9611277...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143794 (US10183953, Example 55 | US8969352, 55 | US9611277...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143797 (US10183953, Example 58 | US8969352, 58 | US9611277...) Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2 |TLB:20:19:15.16:32,13:15:19.18:32| Show InChI InChI=1S/C23H19F4N5O/c24-15-3-4-16(21-28-6-1-7-29-21)17(10-15)22(33)32-12-13-8-18(19(32)9-13)31-20-5-2-14(11-30-20)23(25,26)27/h1-7,10-11,13,18-19H,8-9,12H2,(H,30,31)	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314927 (((1S,4R,6R)-6-((5-bromopyridin-2-yl)oxy)-2-azabicy...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-n1nccn1 |TLB:13:12:8.9:22,6:8:12.11:22| Show InChI InChI=1S/C20H17BrFN5O2/c21-13-4-5-18(23-10-13)29-17-9-12-8-16(17)26(11-12)20(28)14-2-1-3-15(22)19(14)27-24-6-7-25-27/h1-7,10,12,16-17H,8-9,11H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314967 ((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1 |TLB:14:13:9.10:26,7:9:13.12:26| Show InChI InChI=1S/C21H18F4N6O/c22-14-2-1-3-16(31-27-6-7-28-31)19(14)20(32)30-11-12-8-15(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,15,17H,8-9,11H2,(H,26,29)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314969 ((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C23H20F3N5O/c24-23(25,26)15-6-7-20(29-12-15)30-18-10-14-11-19(18)31(13-14)22(32)17-5-2-1-4-16(17)21-27-8-3-9-28-21/h1-9,12,14,18-19H,10-11,13H2,(H,29,30)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314976 ((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H20F4N6O/c1-30(20-5-2-14(11-27-20)22(24,25)26)18-8-13-9-19(18)31(12-13)21(33)16-10-15(23)3-4-17(16)32-28-6-7-29-32/h2-7,10-11,13,18-19H,8-9,12H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314978 ((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cccc(F)c1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(20-7-6-15(12-31-20)24(26,27)28)18-10-14-11-19(18)33(13-14)23(34)16-4-2-5-17(25)21(16)22-29-8-3-9-30-22/h2-9,12,14,18-19H,10-11,13H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314988 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...) Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM315001 (((1S,4S,6R)-6-(benzo[d]oxazol-2-ylamino)-2-azabicy...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4nc5ccccc5o4)C2C3)c1-n1nccn1 |TLB:13:12:8.9:24,6:8:12.11:24| Show InChI InChI=1S/C22H19FN6O2/c23-15-5-3-4-14(20(15)29-24-8-9-25-29)21(30)28-12-13-10-17(18(28)11-13)27-22-26-16-6-1-2-7-19(16)31-22/h1-9,13,17-18H,10-12H2,(H,26,27)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143756 (US10183953, Example 17 | US8969352, 17 | US9611277...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C22H20F3N5O2/c1-13-3-2-4-16(20(13)30-27-7-8-28-30)21(31)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3	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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314847 ((3-methyl-2-(oxazol-2-yl)phenyl)((1S,4R,6R)-6-((5-...) Show SMILES Cc1ccc(OC2CC3CC2N(C3)C(=O)c2cccc(C)c2-c2ncco2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315015 ((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315001 (((1S,4S,6R)-6-(benzo[d]oxazol-2-ylamino)-2-azabicy...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4nc5ccccc5o4)C2C3)c1-n1nccn1 |TLB:13:12:8.9:24,6:8:12.11:24| Show InChI InChI=1S/C22H19FN6O2/c23-15-5-3-4-14(20(15)29-24-8-9-25-29)21(30)28-12-13-10-17(18(28)11-13)27-22-26-16-6-1-2-7-19(16)31-22/h1-9,13,17-18H,10-12H2,(H,26,27)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315049 ((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)14-10-28-21(29-11-14)30-17-8-13-9-18(17)31(12-13)20(32)16-5-2-1-4-15(16)19-26-6-3-7-27-19/h1-7,10-11,13,17-18H,8-9,12H2,(H,28,29,30)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315087 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Brc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20BrN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM315088 (((1S,4R,6R)-6-((5-bromopyridin-2-yl)oxy)-2-azabicy...) Show SMILES Fc1cccc(C(=O)N2CC3CCC2C(C3)Oc2ccc(Br)cn2)c1-c1ncccn1 |TLB:16:14:11.12:9.8,THB:6:8:14.15:11.12| Show InChI InChI=1S/C23H20BrFN4O2/c24-15-6-8-20(28-12-15)31-19-11-14-5-7-18(19)29(13-14)23(30)16-3-1-4-17(25)21(16)22-26-9-2-10-27-22/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM315089 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...) Show SMILES Clc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12| Show InChI InChI=1S/C21H20ClN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM315099 ((2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifl...) Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1 |TLB:17:15:9.10:12.13,THB:8:9:12.13:16.15| Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143750 (US10183953, Example 86 | US8969352, 11 | US8969352...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(32)31-12-13-9-17(31)18(10-13)33-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143750 (US10183953, Example 86 | US8969352, 11 | US8969352...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(32)31-12-13-9-17(31)18(10-13)33-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314847 ((3-methyl-2-(oxazol-2-yl)phenyl)((1S,4R,6R)-6-((5-...) Show SMILES Cc1ccc(OC2CC3CC2N(C3)C(=O)c2cccc(C)c2-c2ncco2)nc1 |TLB:13:11:6.7:9,THB:5:6:11.12:9| Show InChI InChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143797 (US10183953, Example 58 | US8969352, 58 | US9611277...) Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2 |TLB:20:19:15.16:32,13:15:19.18:32| Show InChI InChI=1S/C23H19F4N5O/c24-15-3-4-16(21-28-6-1-7-29-21)17(10-15)22(33)32-12-13-8-18(19(32)9-13)31-20-5-2-14(11-30-20)23(25,26)27/h1-7,10-11,13,18-19H,8-9,12H2,(H,30,31)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM143787 (US10183953, Example 48 | US8969352, 48 | US9611277...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-c1ncccn1 |TLB:13:12:8.9:22,6:8:12.11:22| Show InChI InChI=1S/C22H18BrFN4O2/c23-14-5-6-19(27-11-14)30-18-10-13-9-17(18)28(12-13)22(29)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM143792 (US10183953, Example 53 | US8969352, 53 | US9611277...) Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:16:14:9.10:12,THB:8:9:14.15:12| Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 990 total )  |  Next  |  Last  >>

Jump to: