Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'kirinuki' and Initial = 's'   

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))	BDBM50543836 (CHEMBL4637711) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1 |r| Show InChI InChI=1S/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.784	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543827 (CHEMBL4638046) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543827 (CHEMBL4638046) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543819 (CHEMBL4639148) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543833 (CHEMBL4634034) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ncc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H21FN8O2/c1-15-3-6-20(31-25-7-8-26-31)17(11-15)22(32)29-9-2-10-33-21(29)14-30-27-13-19(28-30)18-5-4-16(23)12-24-18/h3-8,11-13,21H,2,9-10,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543831 (CHEMBL4637497) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1cnn(c1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-5-20(31-26-7-8-27-31)19(11-16)23(32)29-9-2-10-33-22(29)12-17-13-28-30(15-17)21-6-4-18(24)14-25-21/h3-8,11,13-15,22H,2,9-10,12H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543837 (CHEMBL4641191) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1 |r| Show InChI InChI=1S/C22H19F2N7O2/c23-15-3-5-20(31-26-7-8-27-31)17(12-15)22(32)30-9-1-11-33-21(30)14-29-10-6-19(28-29)18-4-2-16(24)13-25-18/h2-8,10,12-13,21H,1,9,11,14H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543830 (CHEMBL4642480) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-7-8-27-31)19(11-16)23(32)30-9-2-10-33-22(30)15-29-14-17(12-28-29)20-5-4-18(24)13-25-20/h3-8,11-14,22H,2,9-10,15H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543836 (CHEMBL4637711) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1 |r| Show InChI InChI=1S/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543819 (CHEMBL4639148) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543838 (CHEMBL4633158) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2ccccc2-n2nccn2)n1 |r| Show InChI InChI=1S/C22H20FN7O2/c23-16-6-7-18(24-14-16)19-8-12-28(27-19)15-21-29(11-3-13-32-21)22(31)17-4-1-2-5-20(17)30-25-9-10-26-30/h1-2,4-10,12,14,21H,3,11,13,15H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50261028 (CHEMBL3398466) Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543833 (CHEMBL4634034) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ncc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H21FN8O2/c1-15-3-6-20(31-25-7-8-26-31)17(11-15)22(32)29-9-2-10-33-21(29)14-30-27-13-19(28-30)18-5-4-16(23)12-24-18/h3-8,11-13,21H,2,9-10,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543834 (CHEMBL4637671) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(nn1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H21FN8O2/c1-15-3-6-20(31-25-7-8-26-31)17(11-15)22(32)30-9-2-10-33-21(30)14-29-13-19(27-28-29)18-5-4-16(23)12-24-18/h3-8,11-13,21H,2,9-10,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543817 (CHEMBL4645974) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-4-7-22(31-26-9-10-27-31)19(13-16)23(32)30-11-2-3-18(30)15-29-12-8-21(28-29)20-6-5-17(24)14-25-20/h4-10,12-14,18H,2-3,11,15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543839 (CHEMBL4644984) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-c1ncccn1 |r| Show InChI InChI=1S/C25H23FN6O2/c1-17-4-6-19(24-27-9-2-10-28-24)20(14-17)25(33)32-11-3-13-34-23(32)16-31-12-8-22(30-31)21-7-5-18(26)15-29-21/h2,4-10,12,14-15,23H,3,11,13,16H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50261028 (CHEMBL3398466) Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 Show InChI InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543840 (CHEMBL4634476) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-c2ncccn2)n1 |r| Show InChI InChI=1S/C24H20F2N6O2/c25-16-3-5-18(23-27-8-1-9-28-23)19(13-16)24(33)32-10-2-12-34-22(32)15-31-11-7-21(30-31)20-6-4-17(26)14-29-20/h1,3-9,11,13-14,22H,2,10,12,15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543817 (CHEMBL4645974) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-4-7-22(31-26-9-10-27-31)19(13-16)23(32)30-11-2-3-18(30)15-29-12-8-21(28-29)20-6-5-17(24)14-25-20/h4-10,12-14,18H,2-3,11,15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543839 (CHEMBL4644984) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-c1ncccn1 |r| Show InChI InChI=1S/C25H23FN6O2/c1-17-4-6-19(24-27-9-2-10-28-24)20(14-17)25(33)32-11-3-13-34-23(32)16-31-12-8-22(30-31)21-7-5-18(26)15-29-21/h2,4-10,12,14-15,23H,3,11,13,16H2,1H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543829 (CHEMBL4646361) Show SMILES Cc1ccc(c(c1)C(=O)N1COCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-2-5-22(31-26-8-9-27-31)19(12-16)23(32)30-15-33-11-7-18(30)14-29-10-6-21(28-29)20-4-3-17(24)13-25-20/h2-6,8-10,12-13,18H,7,11,14-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543829 (CHEMBL4646361) Show SMILES Cc1ccc(c(c1)C(=O)N1COCC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-2-5-22(31-26-8-9-27-31)19(12-16)23(32)30-15-33-11-7-18(30)14-29-10-6-21(28-29)20-4-3-17(24)13-25-20/h2-6,8-10,12-13,18H,7,11,14-15H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543826 (CHEMBL4645246) Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-2-5-22(31-26-7-8-27-31)19(12-16)23(32)30-10-11-33-15-18(30)14-29-9-6-21(28-29)20-4-3-17(24)13-25-20/h2-9,12-13,18H,10-11,14-15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543832 (CHEMBL4643960) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1noc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O3/c1-14-3-6-18(30-25-7-8-26-30)16(11-14)22(31)29-9-2-10-32-20(29)12-19-27-21(33-28-19)17-5-4-15(23)13-24-17/h3-8,11,13,20H,2,9-10,12H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543838 (CHEMBL4633158) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2ccccc2-n2nccn2)n1 |r| Show InChI InChI=1S/C22H20FN7O2/c23-16-6-7-18(24-14-16)19-8-12-28(27-19)15-21-29(11-3-13-32-21)22(31)17-4-1-2-5-20(17)30-25-9-10-26-30/h1-2,4-10,12,14,21H,3,11,13,15H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543831 (CHEMBL4637497) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1cnn(c1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-5-20(31-26-7-8-27-31)19(11-16)23(32)29-9-2-10-33-22(29)12-17-13-28-30(15-17)21-6-4-18(24)14-25-21/h3-8,11,13-15,22H,2,9-10,12H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543837 (CHEMBL4641191) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-n2nccn2)n1 |r| Show InChI InChI=1S/C22H19F2N7O2/c23-15-3-5-20(31-26-7-8-27-31)17(12-15)22(32)30-9-1-11-33-21(30)14-29-10-6-19(28-29)18-4-2-16(24)13-25-18/h2-8,10,12-13,21H,1,9,11,14H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543832 (CHEMBL4643960) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cc1noc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O3/c1-14-3-6-18(30-25-7-8-26-30)16(11-14)22(31)29-9-2-10-32-20(29)12-19-27-21(33-28-19)17-5-4-15(23)13-24-17/h3-8,11,13,20H,2,9-10,12H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543825 (CHEMBL4633255) Show SMILES Cc1ccc(c(c1)C(=O)N1CSC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7OS/c1-15-2-5-21(30-25-7-8-26-30)18(10-15)22(31)29-14-32-13-17(29)12-28-9-6-20(27-28)19-4-3-16(23)11-24-19/h2-11,17H,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543840 (CHEMBL4634476) Show SMILES Fc1ccc(nc1)-c1ccn(C[C@@H]2OCCCN2C(=O)c2cc(F)ccc2-c2ncccn2)n1 |r| Show InChI InChI=1S/C24H20F2N6O2/c25-16-3-5-18(23-27-8-1-9-28-23)19(13-16)24(33)32-10-2-12-34-22(32)15-31-11-7-21(30-31)20-6-4-17(26)14-29-20/h1,3-9,11,13-14,22H,2,10,12,15H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543835 (CHEMBL4646165) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ncn(-c2ccc(F)cn2)c1=O)-n1nccn1 |r| Show InChI InChI=1S/C22H21FN8O3/c1-15-3-5-18(31-25-7-8-26-31)17(11-15)21(32)28-9-2-10-34-20(28)13-30-22(33)29(14-27-30)19-6-4-16(23)12-24-19/h3-8,11-12,14,20H,2,9-10,13H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543830 (CHEMBL4642480) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(cn1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-7-8-27-31)19(11-16)23(32)30-9-2-10-33-22(30)15-29-14-17(12-28-29)20-5-4-18(24)13-25-20/h3-8,11-14,22H,2,9-10,15H2,1H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543821 (CHEMBL4644741) Show SMILES Cc1ccc(c(c1)C(=O)N1CCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O2/c1-15-2-5-20(30-25-7-8-26-30)17(12-15)22(31)29-10-11-32-21(29)14-28-9-6-19(27-28)18-4-3-16(23)13-24-18/h2-9,12-13,21H,10-11,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543821 (CHEMBL4644741) Show SMILES Cc1ccc(c(c1)C(=O)N1CCO[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O2/c1-15-2-5-20(30-25-7-8-26-30)17(12-15)22(31)29-10-11-32-21(29)14-28-9-6-19(27-28)18-4-3-16(23)13-24-18/h2-9,12-13,21H,10-11,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543834 (CHEMBL4637671) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1cc(nn1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H21FN8O2/c1-15-3-6-20(31-25-7-8-26-31)17(11-15)22(32)30-9-2-10-33-21(30)14-29-13-19(27-28-29)18-5-4-16(23)12-24-18/h3-8,11-13,21H,2,9-10,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543825 (CHEMBL4633255) Show SMILES Cc1ccc(c(c1)C(=O)N1CSC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7OS/c1-15-2-5-21(30-25-7-8-26-30)18(10-15)22(31)29-14-32-13-17(29)12-28-9-6-20(27-28)19-4-3-16(23)11-24-19/h2-11,17H,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543826 (CHEMBL4645246) Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-2-5-22(31-26-7-8-27-31)19(12-16)23(32)30-10-11-33-15-18(30)14-29-9-6-21(28-29)20-4-3-17(24)13-25-20/h2-9,12-13,18H,10-11,14-15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543841 (CHEMBL3398482) Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543820 (CHEMBL4633205) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543841 (CHEMBL3398482) Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543820 (CHEMBL4633205) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543824 (CHEMBL4633992) Show SMILES Cc1ccc(c(c1)C(=O)N1CCS[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7OS/c1-15-2-5-20(30-25-7-8-26-30)17(12-15)22(31)29-10-11-32-21(29)14-28-9-6-19(27-28)18-4-3-16(23)13-24-18/h2-9,12-13,21H,10-11,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543835 (CHEMBL4646165) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ncn(-c2ccc(F)cn2)c1=O)-n1nccn1 |r| Show InChI InChI=1S/C22H21FN8O3/c1-15-3-5-18(31-25-7-8-26-31)17(11-15)21(32)28-9-2-10-34-20(28)13-30-22(33)29(14-27-30)19-6-4-16(23)12-24-19/h3-8,11-12,14,20H,2,9-10,13H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543823 (CHEMBL4633683) Show SMILES Cc1ccc(c(c1)C(=O)N1COC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O2/c1-15-2-5-21(30-25-7-8-26-30)18(10-15)22(31)29-14-32-13-17(29)12-28-9-6-20(27-28)19-4-3-16(23)11-24-19/h2-11,17H,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543823 (CHEMBL4633683) Show SMILES Cc1ccc(c(c1)C(=O)N1COC[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7O2/c1-15-2-5-21(30-25-7-8-26-30)18(10-15)22(31)29-14-32-13-17(29)12-28-9-6-20(27-28)19-4-3-16(23)11-24-19/h2-11,17H,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543828 (CHEMBL4645946) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543818 (CHEMBL4635632) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-4-7-22(31-26-9-10-27-31)19(13-16)23(32)30-11-2-3-18(30)15-29-12-8-21(28-29)20-6-5-17(24)14-25-20/h4-10,12-14,18H,2-3,11,15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543828 (CHEMBL4645946) Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50543818 (CHEMBL4635632) Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C23H22FN7O/c1-16-4-7-22(31-26-9-10-27-31)19(13-16)23(32)30-11-2-3-18(30)15-29-12-8-21(28-29)20-6-5-17(24)14-25-20/h4-10,12-14,18H,2-3,11,15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50543824 (CHEMBL4633992) Show SMILES Cc1ccc(c(c1)C(=O)N1CCS[C@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r| Show InChI InChI=1S/C22H20FN7OS/c1-15-2-5-20(30-25-7-8-26-30)17(12-15)22(31)29-10-11-32-21(29)14-28-9-6-19(27-28)18-4-3-16(23)13-24-18/h2-9,12-13,21H,10-11,14H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115489 BindingDB Entry DOI: 10.7270/Q2KH0RWT
					More data for this Ligand-Target Pair

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