Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50039802   

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))	BDBM50384423 (CHEMBL2031485 | US9896452, Example 62) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384412 (CHEMBL2031504) Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384437 (CHEMBL2031501) Show SMILES Cc1nc(C(=O)N2CC(F)CC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384436 (CHEMBL2031500) Show SMILES OC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O3/c33-23-16-15-22(18-31-28(34)26-14-6-10-21-11-7-17-30-27(21)26)32(19-23)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23,33H,15-16,18-19H2,(H,31,34)/t22-,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	2	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384417 (CHEMBL2031478) Show SMILES O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12 Show InChI InChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)	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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384408 (CHEMBL2031498) Show SMILES FC1(F)CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)/t22-/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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384428 (CHEMBL2031491 | US9896452, Example 8) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384429 (CHEMBL2031492 | US9896452, Example 137) Show SMILES C[C@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,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	2	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384408 (CHEMBL2031498) Show SMILES FC1(F)CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)/t22-/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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384417 (CHEMBL2031478) Show SMILES O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12 Show InChI InChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)	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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384419 (CHEMBL2031480) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2occc12)-c1ccccc1 Show InChI InChI=1S/C26H25N3O3S/c1-17-28-23(18-8-3-2-4-9-18)24(33-17)26(31)29-14-6-5-10-19(29)16-27-25(30)21-11-7-12-22-20(21)13-15-32-22/h2-4,7-9,11-13,15,19H,5-6,10,14,16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384419 (CHEMBL2031480) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2occc12)-c1ccccc1 Show InChI InChI=1S/C26H25N3O3S/c1-17-28-23(18-8-3-2-4-9-18)24(33-17)26(31)29-14-6-5-10-19(29)16-27-25(30)21-11-7-12-22-20(21)13-15-32-22/h2-4,7-9,11-13,15,19H,5-6,10,14,16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384418 (CHEMBL2031479) Show SMILES Cc1nc(C(=O)N2CCCCC2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25FN4O2S/c1-17-31-24(25(35-17)19-10-12-20(28)13-11-19)27(34)32-15-3-2-8-21(32)16-30-26(33)22-9-4-6-18-7-5-14-29-23(18)22/h4-7,9-14,21H,2-3,8,15-16H2,1H3,(H,30,33)	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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384415 (CHEMBL2031507) Show SMILES C[C@H]1CCC[C@@H](CNc2nc3ccccc3o2)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN4O2S/c1-15-6-5-7-19(14-27-25-29-20-8-3-4-9-21(20)32-25)30(15)24(31)22-23(33-16(2)28-22)17-10-12-18(26)13-11-17/h3-4,8-13,15,19H,5-7,14H2,1-2H3,(H,27,29)/t15-,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384420 (CHEMBL2031482) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384430 (CHEMBL2031493 | US9896452, Example 12) Show SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2ccccc2o1)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C25H26N4O2S/c1-16-9-8-14-29(20(16)15-26-25-28-19-12-6-7-13-21(19)31-25)24(30)22-23(32-17(2)27-22)18-10-4-3-5-11-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3,(H,26,28)/t16-,20-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384411 (CHEMBL2031503) Show SMILES Cc1nc(C(=O)N2CC(F)CC[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C23H22F4N4OS/c1-14-30-20(21(33-14)15-5-3-2-4-6-15)22(32)31-13-17(24)8-9-18(31)12-29-19-10-7-16(11-28-19)23(25,26)27/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,28,29)/t17?,18-/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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384411 (CHEMBL2031503) Show SMILES Cc1nc(C(=O)N2CC(F)CC[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C23H22F4N4OS/c1-14-30-20(21(33-14)15-5-3-2-4-6-15)22(32)31-13-17(24)8-9-18(31)12-29-19-10-7-16(11-28-19)23(25,26)27/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,28,29)/t17?,18-/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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384426 (CHEMBL2031489 | US9896452, Example 9) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1sc(C)nc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)26-25(31-19(2)35-26)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384420 (CHEMBL2031482) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)	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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384421 (CHEMBL2031483) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNc1ccc(cn1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C23H23F3N4OS/c1-15-29-20(16-7-3-2-4-8-16)21(32-15)22(31)30-12-6-5-9-18(30)14-28-19-11-10-17(13-27-19)23(24,25)26/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384412 (CHEMBL2031504) Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384422 (CHEMBL2031484 | US9896452, Example 125) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H27FN4O2S/c1-17-6-5-15-33(28(35)25-26(36-18(2)32-25)20-10-12-21(29)13-11-20)23(17)16-31-27(34)22-9-3-7-19-8-4-14-30-24(19)22/h3-4,7-14,17,23H,5-6,15-16H2,1-2H3,(H,31,34)/t17-,23-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384423 (CHEMBL2031485 | US9896452, Example 62) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384409 (CHEMBL2031487 | US9896452, Example 138) Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3cccnc23)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C28H25F3N4O2S/c1-17-34-24(25(38-17)19-8-3-2-4-9-19)27(37)35-15-7-13-21(28(29,30)31)22(35)16-33-26(36)20-12-5-10-18-11-6-14-32-23(18)20/h2-6,8-12,14,21-22H,7,13,15-16H2,1H3,(H,33,36)/t21-,22-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384427 (CHEMBL2031490 | US9896452, Example 139) Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384413 (CHEMBL2031505) Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3cccnc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H27FN4O2S/c1-17-6-3-9-22(16-31-27(34)23-10-4-7-19-8-5-15-30-24(19)23)33(17)28(35)25-26(36-18(2)32-25)20-11-13-21(29)14-12-20/h4-5,7-8,10-15,17,22H,3,6,9,16H2,1-2H3,(H,31,34)/t17-,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
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384436 (CHEMBL2031500) Show SMILES OC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O3/c33-23-16-15-22(18-31-28(34)26-14-6-10-21-11-7-17-30-27(21)26)32(19-23)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23,33H,15-16,18-19H2,(H,31,34)/t22-,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	13	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384421 (CHEMBL2031483) Show SMILES Cc1nc(c(s1)C(=O)N1CCCCC1CNc1ccc(cn1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C23H23F3N4OS/c1-15-29-20(16-7-3-2-4-8-16)21(32-15)22(31)30-12-6-5-9-18(30)14-28-19-11-10-17(13-27-19)23(24,25)26/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384414 (CHEMBL2031506) Show SMILES C[C@H]1CCC[C@@H](CNc2ccc(cn2)C(F)(F)F)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)21-22(34-15(2)31-21)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)/t14-,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	14	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384424 (CHEMBL2031486 | US9896452, Example 124) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2oc(C)cc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C28H29N3O3S/c1-17-9-8-14-31(28(33)25-26(35-19(3)30-25)20-10-5-4-6-11-20)23(17)16-29-27(32)21-12-7-13-24-22(21)15-18(2)34-24/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3,(H,29,32)/t17-,23-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384418 (CHEMBL2031479) Show SMILES Cc1nc(C(=O)N2CCCCC2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25FN4O2S/c1-17-31-24(25(35-17)19-10-12-20(28)13-11-19)27(34)32-15-3-2-8-21(32)16-30-26(33)22-9-4-6-18-7-5-14-29-23(18)22/h4-7,9-14,21H,2-3,8,15-16H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384435 (CHEMBL2031499) Show SMILES OCCNC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C31H32N4O3/c36-19-18-32-24-15-16-25(20-34-30(37)28-14-6-10-23-11-7-17-33-29(23)28)35(21-24)31(38)27-13-5-4-12-26(27)22-8-2-1-3-9-22/h1-14,17,24-25,32,36H,15-16,18-21H2,(H,34,37)/t24?,25-/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	27	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384427 (CHEMBL2031490 | US9896452, Example 139) Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384431 (CHEMBL2031494) Show SMILES O[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O3/c33-23-15-17-32(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)22(18-23)19-31-28(34)26-14-6-10-21-11-7-16-30-27(21)26/h1-14,16,22-23,33H,15,17-19H2,(H,31,34)/t22-,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	40	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384416 (CHEMBL2111553 | CHEMBL291536 | SB-334867) Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1 Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384409 (CHEMBL2031487 | US9896452, Example 138) Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3cccnc23)C(F)(F)F)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C28H25F3N4O2S/c1-17-34-24(25(38-17)19-8-3-2-4-9-19)27(37)35-15-7-13-21(28(29,30)31)22(35)16-33-26(36)20-12-5-10-18-11-6-14-32-23(18)20/h2-6,8-12,14,21-22H,7,13,15-16H2,1H3,(H,33,36)/t21-,22-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384426 (CHEMBL2031489 | US9896452, Example 9) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1sc(C)nc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)26-25(31-19(2)35-26)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384428 (CHEMBL2031491 | US9896452, Example 8) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/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	58	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384431 (CHEMBL2031494) Show SMILES O[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H27N3O3/c33-23-15-17-32(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)22(18-23)19-31-28(34)26-14-6-10-21-11-7-16-30-27(21)26/h1-14,16,22-23,33H,15,17-19H2,(H,31,34)/t22-,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	62	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384429 (CHEMBL2031492 | US9896452, Example 137) Show SMILES C[C@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,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	82	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384414 (CHEMBL2031506) Show SMILES C[C@H]1CCC[C@@H](CNc2ccc(cn2)C(F)(F)F)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)21-22(34-15(2)31-21)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)/t14-,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	96	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384410 (CHEMBL2031502) Show SMILES Cc1nc(C(=O)N2CC(N)CC[C@H]2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccccc1 |r| Show InChI InChI=1S/C27H27N5O2S/c1-17-31-24(25(35-17)19-7-3-2-4-8-19)27(34)32-16-20(28)12-13-21(32)15-30-26(33)22-11-5-9-18-10-6-14-29-23(18)22/h2-11,14,20-21H,12-13,15-16,28H2,1H3,(H,30,33)/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	121	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384415 (CHEMBL2031507) Show SMILES C[C@H]1CCC[C@@H](CNc2nc3ccccc3o2)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN4O2S/c1-15-6-5-7-19(14-27-25-29-20-8-3-4-9-21(20)32-25)30(15)24(31)22-23(33-16(2)28-22)17-10-12-18(26)13-11-17/h3-4,8-13,15,19H,5-7,14H2,1-2H3,(H,27,29)/t15-,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	125	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384435 (CHEMBL2031499) Show SMILES OCCNC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C31H32N4O3/c36-19-18-32-24-15-16-25(20-34-30(37)28-14-6-10-23-11-7-17-33-29(23)28)35(21-24)31(38)27-13-5-4-12-26(27)22-8-2-1-3-9-22/h1-14,17,24-25,32,36H,15-16,18-21H2,(H,34,37)/t24?,25-/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	137	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384425 (CHEMBL2031488) Show SMILES COc1cccc(C(=O)NC[C@@H]2[C@H](C)CCCN2C(=O)c2nc(C)sc2-c2ccccc2)c1C |r| Show InChI InChI=1S/C27H31N3O3S/c1-17-10-9-15-30(22(17)16-28-26(31)21-13-8-14-23(33-4)18(21)2)27(32)24-25(34-19(3)29-24)20-11-6-5-7-12-20/h5-8,11-14,17,22H,9-10,15-16H2,1-4H3,(H,28,31)/t17-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384432 (CHEMBL2031495) Show SMILES F[C@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C29H26FN3O2/c30-22-15-17-33(29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20)23(18-22)19-32-28(34)26-14-6-10-21-11-7-16-31-27(21)26/h1-14,16,22-23H,15,17-19H2,(H,32,34)/t22-,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	146	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384413 (CHEMBL2031505) Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3cccnc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H27FN4O2S/c1-17-6-3-9-22(16-31-27(34)23-10-4-7-19-8-5-15-30-24(19)23)33(17)28(35)25-26(36-18(2)32-25)20-11-13-21(29)14-12-20/h4-5,7-8,10-15,17,22H,3,6,9,16H2,1-2H3,(H,31,34)/t17-,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	151	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50384424 (CHEMBL2031486 | US9896452, Example 124) Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2oc(C)cc12)C(=O)c1nc(C)sc1-c1ccccc1 |r| Show InChI InChI=1S/C28H29N3O3S/c1-17-9-8-14-31(28(33)25-26(35-19(3)30-25)20-10-5-4-6-11-20)23(17)16-29-27(32)21-12-7-13-24-22(21)15-18(2)34-24/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3,(H,29,32)/t17-,23-/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	221	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50384434 (CHEMBL2031497) Show SMILES CO[C@@H]1CCN([C@H](CNC(=O)c2cccc3cccnc23)C1)C(=O)c1sc(C)nc1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O3S/c1-18-31-25(20-8-4-3-5-9-20)26(36-18)28(34)32-15-13-22(35-2)16-21(32)17-30-27(33)23-12-6-10-19-11-7-14-29-24(19)23/h3-12,14,21-22H,13,15-17H2,1-2H3,(H,30,33)/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	390	n/a	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...				Bioorg Med Chem Lett 22: 3890-4 (2012) Article DOI: 10.1016/j.bmcl.2012.04.122 BindingDB Entry DOI: 10.7270/Q2M046GG
					More data for this Ligand-Target Pair

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