Compile Data Set for Download or QSAR

Found 6392 hits with Last Name = 'lebold' and Initial = 'tp'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50417257 (SB-649868) Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r| Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50417257 (SB-649868) Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50438824 (CHEMBL2413365) Show SMILES C[C@H]1[C@H](COc2nccc3ccccc23)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C26H27N5O2/c1-18-9-10-24(31-28-13-14-29-31)23(16-18)26(32)30-15-5-7-21(19(30)2)17-33-25-22-8-4-3-6-20(22)11-12-27-25/h3-4,6,8-14,16,19,21H,5,7,15,17H2,1-2H3/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438798 (CHEMBL2413516) Show SMILES COC(=O)c1ccc2[nH]cc(CN3CCCC4(CCN(CC4)c4nc(C)cc(C)n4)C3=O)c2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-13-18(2)29-25(28-17)30-11-8-26(9-12-30)7-4-10-31(24(26)33)16-20-15-27-22-6-5-19(14-21(20)22)23(32)34-3/h5-6,13-15,27H,4,7-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50438823 (CHEMBL2413366) Show SMILES C[C@H]1[C@H](COc2ccccn2)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N5O2/c1-16-8-9-20(27-24-11-12-25-27)19(14-16)22(28)26-13-5-6-18(17(26)2)15-29-21-7-3-4-10-23-21/h3-4,7-12,14,17-18H,5-6,13,15H2,1-2H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50434481 (CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134) Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50423649 (CHEMBL2110363 | CHEMBL2413521 | SB-674042) Show SMILES Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(o2)-c2ccccc2)c(s1)-c1ccccc1F |r| Show InChI InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50434481 (CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134) Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50434481 (CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134) Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50423649 (CHEMBL2110363 | CHEMBL2413521 | SB-674042) Show SMILES Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(o2)-c2ccccc2)c(s1)-c1ccccc1F |r| Show InChI InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438811 (CHEMBL2413510) Show SMILES C[C@@H]1CO[C@@H](COc2nccc3ccccc23)CN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C25H25N5O3/c1-17-7-8-23(30-27-11-12-28-30)22(13-17)25(31)29-14-20(32-15-18(29)2)16-33-24-21-6-4-3-5-19(21)9-10-26-24/h3-13,18,20H,14-16H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					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
TBA US Patent					Assay Description Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...				US Patent US9845333 (2017) BindingDB Entry DOI: 10.7270/Q21838TW
					More data for this Ligand-Target Pair
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 CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					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 CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					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 (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 (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 (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 (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))	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))	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 (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 (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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					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	-46.2	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 US8969352 (2015) BindingDB Entry DOI: 10.7270/Q2FB51PC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50438824 (CHEMBL2413365) Show SMILES C[C@H]1[C@H](COc2nccc3ccccc23)CCCN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C26H27N5O2/c1-18-9-10-24(31-28-13-14-29-31)23(16-18)26(32)30-15-5-7-21(19(30)2)17-33-25-22-8-4-3-6-20(22)11-12-27-25/h3-4,6,8-14,16,19,21H,5,7,15,17H2,1-2H3/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 2 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50438811 (CHEMBL2413510) Show SMILES C[C@@H]1CO[C@@H](COc2nccc3ccccc23)CN1C(=O)c1cc(C)ccc1-n1nccn1 |r| Show InChI InChI=1S/C25H25N5O3/c1-17-7-8-23(30-27-11-12-28-30)22(13-17)25(31)29-14-20(32-15-18(29)2)16-33-24-21-6-4-3-5-19(21)9-10-26-24/h3-13,18,20H,14-16H2,1-2H3/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Antagonist activity at human orexin receptor 1 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r| Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Binding affinity to orexin receptor 1 (unknown origin)				Bioorg Med Chem Lett 23: 4761-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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

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