Compile Data Set for Download or QSAR

Found 122 hits Enz. Inhib. hit(s) with all data for entry = 50043873   

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))	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/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/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))	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 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/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))	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))	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))	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/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))	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))	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))	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/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))	BDBM50447808 (CHEMBL3113748 | US9242970, 29) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ncccn1 Show InChI InChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50447784 (CHEMBL3113772) Show SMILES COc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H18F3NO4S/c1-25-14-4-3-5-15(26-2)17(14)18-23(16(24)11-28-18)10-12-6-8-13(9-7-12)27-19(20,21)22/h3-9,18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50447762 (CHEMBL3112601 | US9242970, 4) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1 Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50447801 (CHEMBL3113755 | US9242970, 441) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1 Show InChI InChI=1S/C25H25N3O3S/c1-15-26-19-10-11-22(30-3)24(25(19)31-15)21-8-5-9-23(29)28(21)13-17-6-4-7-18(12-17)20-14-32-16(2)27-20/h4,6-7,10-12,14,21H,5,8-9,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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))	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	19	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))	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	19	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))	BDBM50447769 (CHEMBL3113544 | US9242970, 184) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1C(C)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3NO4/c1-14(15-10-12-16(13-11-15)30-22(23,24)25)26-17(6-4-9-20(26)27)21-18(28-2)7-5-8-19(21)29-3/h5,7-8,10-14,17H,4,6,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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))	BDBM50447790 (CHEMBL3113766 | US9242970, 217) Show SMILES COc1cccc(OC)c1C1CC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3NO4/c1-21(2)12-16(19-17(28-3)6-5-7-18(19)29-4)26(20(21)27)13-14-8-10-15(11-9-14)30-22(23,24)25/h5-11,16H,12-13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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))	BDBM50447812 (CHEMBL3113744 | US9242970, 12) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-18-14-15-26-20(16-18)19-8-4-3-5-9-19/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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))	BDBM50447782 (CHEMBL3113774 | US9242970, 156) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H22F3NO4/c1-27-17-6-4-7-18(28-2)20(17)16-5-3-8-19(26)25(16)13-14-9-11-15(12-10-14)29-21(22,23)24/h4,6-7,9-12,16H,3,5,8,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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))	BDBM50447808 (CHEMBL3113748 | US9242970, 29) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ncccn1 Show InChI InChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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))	BDBM50447763 (CHEMBL3113550 | US9242970, 189) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C26H27NO3/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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))	BDBM50447766 (CHEMBL3113547 | US9242970, 164) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H27NO4/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)31-20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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))	BDBM50447785 (CHEMBL3113771 | US9242970, 393) Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C22H24N2O3S/c1-13-10-17(21-18(26-3)6-5-7-19(21)27-4)24(22(13)25)12-15-8-9-20-16(11-15)23-14(2)28-20/h5-9,11,13,17H,10,12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	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))	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	32	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))	BDBM50447813 (CHEMBL3113743 | US9242970, 11) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O3/c1-29-22-14-8-15-23(30-2)25(22)21-13-7-16-24(28)27(21)17-19-11-6-12-20(26-19)18-9-4-3-5-10-18/h3-6,8-12,14-15,21H,7,13,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	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))	BDBM50447812 (CHEMBL3113744 | US9242970, 12) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O3/c1-29-22-11-7-12-23(30-2)25(22)21-10-6-13-24(28)27(21)17-18-14-15-26-20(16-18)19-8-4-3-5-9-19/h3-5,7-9,11-12,14-16,21H,6,10,13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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))	BDBM50447767 (CHEMBL3113546 | US9242970, 207) Show SMILES CCCOc1ccc(CN2C(CCCC2=O)c2c(OC)cccc2OC)cc1 Show InChI InChI=1S/C23H29NO4/c1-4-15-28-18-13-11-17(12-14-18)16-24-19(7-5-10-22(24)25)23-20(26-2)8-6-9-21(23)27-3/h6,8-9,11-14,19H,4-5,7,10,15-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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))	BDBM50447776 (CHEMBL3113538 | US9242970, 212) Show SMILES CCOc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3NO4/c1-3-29-19-8-5-7-18(28-2)21(19)17-6-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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))	BDBM50447797 (CHEMBL3113759 | US9242970, 216) Show SMILES COc1cccc(OC)c1C1CCC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3NO4/c1-14-7-12-17(20-18(28-2)5-4-6-19(20)29-3)26(21(14)27)13-15-8-10-16(11-9-15)30-22(23,24)25/h4-6,8-11,14,17H,7,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50447765 (CHEMBL3113548 | US9242970, 179) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C26H27NO4/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)31-20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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))	BDBM50447813 (CHEMBL3113743 | US9242970, 11) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N2O3/c1-29-22-14-8-15-23(30-2)25(22)21-13-7-16-24(28)27(21)17-19-11-6-12-20(26-19)18-9-4-3-5-10-18/h3-6,8-12,14-15,21H,7,13,16-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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))	BDBM50447791 (CHEMBL3113765) Show SMILES COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H22F3NO4/c1-13-11-16(19-17(27-2)5-4-6-18(19)28-3)25(20(13)26)12-14-7-9-15(10-8-14)29-21(22,23)24/h4-10,13,16H,11-12H2,1-3H3/t13-,16+/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	44	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))	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	45	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))	BDBM50447818 (CHEMBL3113552 | US9242970, 238) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C24H25NO3/c1-27-21-10-6-11-22(28-2)24(21)20-9-5-12-23(26)25(20)16-17-13-14-18-7-3-4-8-19(18)15-17/h3-4,6-8,10-11,13-15,20H,5,9,12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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))	BDBM50447802 (CHEMBL3113754 | US9242970, 440) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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))	BDBM50447763 (CHEMBL3113550 | US9242970, 189) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C26H27NO3/c1-29-23-14-8-15-24(30-2)26(23)22-13-7-16-25(28)27(22)18-19-9-6-12-21(17-19)20-10-4-3-5-11-20/h3-6,8-12,14-15,17,22H,7,13,16,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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))	BDBM50447801 (CHEMBL3113755 | US9242970, 441) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1 Show InChI InChI=1S/C25H25N3O3S/c1-15-26-19-10-11-22(30-3)24(25(19)31-15)21-8-5-9-23(29)28(21)13-17-6-4-7-18(12-17)20-14-32-16(2)27-20/h4,6-7,10-12,14,21H,5,8-9,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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))	BDBM50447764 (CHEMBL3113549 | US9242970, 244) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H27NO3/c1-29-23-11-7-12-24(30-2)26(23)22-10-6-13-25(28)27(22)18-19-14-16-21(17-15-19)20-8-4-3-5-9-20/h3-5,7-9,11-12,14-17,22H,6,10,13,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	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))	BDBM50447781 (CHEMBL3113775 | US9242970, 193) Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H24F3NO4/c1-28-18-7-5-8-19(29-2)21(18)17-6-3-4-9-20(27)26(17)14-15-10-12-16(13-11-15)30-22(23,24)25/h5,7-8,10-13,17H,3-4,6,9,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	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))	BDBM50447818 (CHEMBL3113552 | US9242970, 238) Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C24H25NO3/c1-27-21-10-6-11-22(28-2)24(21)20-9-5-12-23(26)25(20)16-17-13-14-18-7-3-4-8-19(18)15-17/h3-4,6-8,10-11,13-15,20H,5,9,12,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	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))	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	80	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))	BDBM50447800 (CHEMBL3113756 | US9242970, 266) Show SMILES COc1cccc(OC)c1C1COCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H20F3NO5/c1-26-16-4-3-5-17(27-2)19(16)15-11-28-12-18(25)24(15)10-13-6-8-14(9-7-13)29-20(21,22)23/h3-9,15H,10-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	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))	BDBM50447802 (CHEMBL3113754 | US9242970, 440) Show SMILES COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	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

Displayed 1 to 50 (of 122 total )  |  Next  |  Last  >>

Jump to: