Compile Data Set for Download or QSAR

Found 293 hits with Last Name = 'boller' and Initial = 'a'   

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 receptor type 2 (Homo sapiens (Human))	BDBM50436391 (CHEMBL2396865) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H29ClF2N4O2/c1-3-21-31-24(27)23-20(14-11-17-9-12-19(13-10-17)35-26(28)29)32(15-16-33(21)23)22(25(34)30-2)18-7-5-4-6-8-18/h4-10,12-13,20,22,26H,3,11,14-16H2,1-2H3,(H,30,34)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447810 (CHEMBL3113746 | US9242970, 16) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1 Show InChI InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436376 (CHEMBL2396842) Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(OC(F)F)c(F)c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O2/c1-32-26(36)22(17-5-3-2-4-6-17)34-13-14-35-23(24(28)33-25(35)18-9-10-18)20(34)11-7-16-8-12-21(19(29)15-16)37-27(30)31/h2-6,8,12,15,18,20,22,27H,7,9-11,13-14H2,1H3,(H,32,36)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447814 (CHEMBL3113742 | US9242970, 30) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C26H25NO4/c1-29-23-10-6-11-24(30-2)26(23)20-8-5-12-25(28)27(20)16-17-13-14-22-19(15-17)18-7-3-4-9-21(18)31-22/h3-4,6-7,9-11,13-15,20H,5,8,12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074059 (CHEMBL3409870) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C25H22FNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074056 (CHEMBL3409873) Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H19F2NO3/c1-29-22-8-4-6-17(25)23(22)19-12-18(26)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19H,12-13H2,1H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50074058 (CHEMBL3409871) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C25H22ClNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447804 (CHEMBL3113752 | US9242970, 57) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447810 (CHEMBL3113746 | US9242970, 16) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1 Show InChI InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074053 (CHEMBL3409876) Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50074059 (CHEMBL3409870) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C25H22FNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447814 (CHEMBL3113742 | US9242970, 30) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C26H25NO4/c1-29-23-10-6-11-24(30-2)26(23)20-8-5-12-25(28)27(20)16-17-13-14-22-19(15-17)18-7-3-4-9-21(18)31-22/h3-4,6-7,9-11,13-15,20H,5,8,12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447786 (CHEMBL3113770 | US9242970, 137) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074053 (CHEMBL3409876) Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Binding affinity to human OX2R				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074057 (CHEMBL3409872) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-29-22-8-5-9-23(30-2)24(22)18-13-19(27)25(28)26(18)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19,27H,13-14H2,1-2H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436393 (CHEMBL2396863) Show SMILES CCc1nc(Cl)c2[C@H](COc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-7-10-17(14-18)25(27,28)29)32(12-13-33(20)22)21(24(34)30-2)16-8-5-4-6-9-16/h4-11,14,19,21H,3,12-13,15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436382 (CHEMBL2396836) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(F)c(F)c3F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O/c1-3-19-31-24(26)23-18(12-10-15-9-11-17(27)21(29)20(15)28)32(13-14-33(19)23)22(25(34)30-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,30,34)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074058 (CHEMBL3409871) Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C25H22ClNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447804 (CHEMBL3113752 | US9242970, 57) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074054 (CHEMBL3409875) Show SMILES COc1cccc(F)c1C1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50074055 (CHEMBL3409874) Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H19ClFNO3/c1-29-22-8-4-6-18(26)23(22)19-12-17(25)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,17,19H,12-13H2,1H3/t17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 1884-91 (2015) Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447803 (CHEMBL3113753 | US9242970, 56) Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c1-27-18-11-12-23-21(28-2)20(18)17-9-6-10-19(26)25(17)13-16-14-29-22(24-16)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,17H,6,9-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447805 (CHEMBL3113751 | US9242970, 35) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436389 (CHEMBL2396867) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(19(28)15-16)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436379 (CHEMBL2396839) Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1cccc(c1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-7-3-2-4-8-18)34-14-15-35-23(24(28)33-25(35)19-11-12-19)21(34)13-10-17-6-5-9-20(16-17)27(29,30)31/h2-9,16,19,21-22H,10-15H2,1H3,(H,32,36)/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447811 (CHEMBL3113745 | US9242970, 10) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50292929 (CHEMBL455136 | almorexant) Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436383 (CHEMBL2396835) Show SMILES CCc1nc(Cl)c2[C@H](CCc3cc(F)c(c(F)c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-20-34-24(27)23-19(10-9-15-13-17(28)21(18(29)14-15)26(30,31)32)35(11-12-36(20)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-8,13-14,19,22H,3,9-12H2,1-2H3,(H,33,37)/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447807 (CHEMBL3113749 | US9242970, 219) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1nccs1 Show InChI InChI=1S/C22H23N3O3S/c1-27-18-6-4-7-19(28-2)21(18)17-5-3-8-20(26)25(17)14-15-9-10-23-16(13-15)22-24-11-12-29-22/h4,6-7,9-13,17H,3,5,8,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431845 (CHEMBL2347607) Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436380 (CHEMBL2396838) Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-20-33-24(27)23-19(13-12-16-10-7-11-18(21(16)28)26(29,30)31)34(14-15-35(20)23)22(25(36)32-2)17-8-5-4-6-9-17/h4-11,19,22H,3,12-15H2,1-2H3,(H,32,36)/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436394 (CHEMBL2396862) Show SMILES CCc1nc(Cl)c2[C@H](COc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-9-17(10-12-18)25(27,28)29)32(13-14-33(20)22)21(24(34)30-2)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447811 (CHEMBL3113745 | US9242970, 10) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C25H26N2O3/c1-29-22-12-7-13-23(30-2)25(22)21-11-6-14-24(28)27(21)17-18-8-5-9-19(16-18)20-10-3-4-15-26-20/h3-5,7-10,12-13,15-16,21H,6,11,14,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431845 (CHEMBL2347607) Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H28ClF3N4O/c1-32-26(36)22(18-5-3-2-4-6-18)34-15-16-35-23(24(28)33-25(35)19-10-11-19)21(34)14-9-17-7-12-20(13-8-17)27(29,30)31/h2-8,12-13,19,21-22H,9-11,14-16H2,1H3,(H,32,36)/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431860 (CHEMBL2347482) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447786 (CHEMBL3113770 | US9242970, 137) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431860 (CHEMBL2347482) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)33(15-16-34(21)23)22(25(35)31-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,31,35)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436378 (CHEMBL2396840) Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(c(F)c1)C(F)(F)F)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H27ClF4N4O/c1-33-26(37)22(17-5-3-2-4-6-17)35-13-14-36-23(24(28)34-25(36)18-9-10-18)21(35)12-8-16-7-11-19(20(29)15-16)27(30,31)32/h2-7,11,15,18,21-22H,8-10,12-14H2,1H3,(H,33,37)/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431853 (CHEMBL2347599) Show SMILES CCc1nc(C#N)c2C(CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C27H28F3N5O/c1-3-23-33-21(17-31)25-22(14-11-18-9-12-20(13-10-18)27(28,29)30)34(15-16-35(23)25)24(26(36)32-2)19-7-5-4-6-8-19/h4-10,12-13,22,24H,3,11,14-16H2,1-2H3,(H,32,36)/t22?,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436395 (CHEMBL2396861) Show SMILES CCc1nc(Cl)c2[C@H](CCc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClF3N4O/c1-3-21-32-24(27)23-20(13-12-17-8-7-11-19(16-17)26(28,29)30)33(14-15-34(21)23)22(25(35)31-2)18-9-5-4-6-10-18/h4-11,16,20,22H,3,12-15H2,1-2H3,(H,31,35)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431858 (CHEMBL2347484) Show SMILES CCc1nc(c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C27H28F6N4O/c1-3-21-35-24(27(31,32)33)23-20(14-11-17-9-12-19(13-10-17)26(28,29)30)36(15-16-37(21)23)22(25(38)34-2)18-7-5-4-6-8-18/h4-10,12-13,20,22H,3,11,14-16H2,1-2H3,(H,34,38)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431846 (CHEMBL2347606) Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)C(C)C)c1ccccc1 |r| Show InChI InChI=1S/C27H30ClF3N4O/c1-17(2)25-33-24(28)23-21(14-11-18-9-12-20(13-10-18)27(29,30)31)34(15-16-35(23)25)22(26(36)32-3)19-7-5-4-6-8-19/h4-10,12-13,17,21-22H,11,14-16H2,1-3H3,(H,32,36)/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436386 (CHEMBL2396870) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(cc3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClF4N4O/c1-3-21-33-24(27)23-20(12-10-16-9-11-18(15-19(16)28)26(29,30)31)34(13-14-35(21)23)22(25(36)32-2)17-7-5-4-6-8-17/h4-9,11,15,20,22H,3,10,12-14H2,1-2H3,(H,32,36)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447815 (CHEMBL3113741 | US9242970, 2) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C22H24N2O3S/c1-14-23-16-12-15(10-11-20(16)28-14)13-24-17(6-4-9-21(24)25)22-18(26-2)7-5-8-19(22)27-3/h5,7-8,10-12,17H,4,6,9,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431849 (CHEMBL2347603) Show SMILES CNC(=O)[C@H](N1CCn2c(C)nc(Cl)c2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H26ClF3N4O/c1-16-31-23(26)22-20(13-10-17-8-11-19(12-9-17)25(27,28)29)33(15-14-32(16)22)21(24(34)30-2)18-6-4-3-5-7-18/h3-9,11-12,20-21H,10,13-15H2,1-2H3,(H,30,34)/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50292929 (CHEMBL455136 | almorexant) Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50436385 (CHEMBL2396833) Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(c(F)c3F)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF5N4O/c1-3-19-34-24(27)23-18(12-10-15-9-11-17(26(30,31)32)21(29)20(15)28)35(13-14-36(19)23)22(25(37)33-2)16-7-5-4-6-8-16/h4-9,11,18,22H,3,10,12-14H2,1-2H3,(H,33,37)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 23: 3857-63 (2013) Article DOI: 10.1016/j.bmcl.2013.04.071 BindingDB Entry DOI: 10.7270/Q2H70H71
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50431855 (CHEMBL2347487) Show SMILES CCc1nc(SC)c2[C@H](CCc3ccc(cc3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r| Show InChI InChI=1S/C27H31F3N4OS/c1-4-22-32-26(36-3)24-21(15-12-18-10-13-20(14-11-18)27(28,29)30)33(16-17-34(22)24)23(25(35)31-2)19-8-6-5-7-9-19/h5-11,13-14,21,23H,4,12,15-17H2,1-3H3,(H,31,35)/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay				Bioorg Med Chem Lett 23: 2212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.088 BindingDB Entry DOI: 10.7270/Q2ZS2XWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447809 (CHEMBL3113747 | US9242970, 44) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-n1nccn1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-5-10-20(29-2)22(19)18-8-4-11-21(27)25(18)15-16-6-3-7-17(14-16)26-23-12-13-24-26/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50447806 (CHEMBL3113750 | US9242970, 52) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-n1cccn1 Show InChI InChI=1S/C22H24N4O3/c1-28-18-7-4-8-19(29-2)22(18)17-6-3-9-21(27)25(17)15-16-10-12-23-20(14-16)26-13-5-11-24-26/h4-5,7-8,10-14,17H,3,6,9,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 24: 1201-8 (2014) Article DOI: 10.1016/j.bmcl.2013.12.092 BindingDB Entry DOI: 10.7270/Q2M61MRZ
					More data for this Ligand-Target Pair

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