Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50013988   

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))	BDBM50136699 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccs1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-13-17-7-6-10-28-17)21(25)24-9-8-15-11-18(26-4)19(27-5)12-16(15)14-24/h6-7,10-12,20,23H,8-9,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136711 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C Show InChI InChI=1S/C23H33N3O3/c1-23(2,3)21(24-14-18-8-7-10-25(18)4)22(27)26-11-9-16-12-19(28-5)20(29-6)13-17(16)15-26/h7-8,10,12-13,21,24H,9,11,14-15H2,1-6H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136714 ((S)-3,5-dichloro-N-(1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136718 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccsc1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-12-15-7-9-28-14-15)21(25)24-8-6-16-10-18(26-4)19(27-5)11-17(16)13-24/h7,9-11,14,20,23H,6,8,12-13H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136720 (CHEMBL343551 | N-[1-Benzyl-2-(6,7-dimethoxy-3,4-di...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136694 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136693 ((+/-)-2-benzyl-1-(6,7-dimethoxy-3,4-dihydroisoquin...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H31NO3/c1-24(2,3)20(13-17-9-7-6-8-10-17)23(26)25-12-11-18-14-21(27-4)22(28-5)15-19(18)16-25/h6-10,14-15,20H,11-13,16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136703 ((+/-)-3-bromo-N-(1-(6,7-dimethoxy-3,4-dihydroisoqu...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1 Show InChI InChI=1S/C27H26BrFN2O4/c1-34-24-14-18-10-11-31(16-20(18)15-25(24)35-2)27(33)23(12-17-6-4-3-5-7-17)30-26(32)19-8-9-22(29)21(28)13-19/h3-9,13-15,23H,10-12,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136698 ((S)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136710 ((S)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136719 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-7-6-9-24-13-16)22(27)26-10-8-17-11-19(28-4)20(29-5)12-18(17)15-26/h6-7,9,11-13,21,25H,8,10,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136702 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27NO3/c1-29-24-16-21-13-14-27(18-22(21)17-25(24)30-2)26(28)23(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-12,16-17,23H,13-15,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136705 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136708 ((+/-)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydro...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136699 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccs1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-13-17-7-6-10-28-17)21(25)24-9-8-15-11-18(26-4)19(27-5)12-16(15)14-24/h6-7,10-12,20,23H,8-9,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136695 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-18-8-6-7-10-24-18)22(27)26-11-9-16-12-19(28-4)20(29-5)13-17(16)15-26/h6-8,10,12-13,21,25H,9,11,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136704 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C23H30N2O3/c1-23(2,3)21(24-18-9-7-6-8-10-18)22(26)25-12-11-16-13-19(27-4)20(28-5)14-17(16)15-25/h6-10,13-14,21,24H,11-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136714 ((S)-3,5-dichloro-N-(1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136707 ((R)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](NCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136697 (2-Benzylamino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoq...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCc1ccccc1)C(C)C Show InChI InChI=1S/C23H30N2O3/c1-16(2)22(24-14-17-8-6-5-7-9-17)23(26)25-11-10-18-12-20(27-3)21(28-4)13-19(18)15-25/h5-9,12-13,16,22,24H,10-11,14-15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136711 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C Show InChI InChI=1S/C23H33N3O3/c1-23(2,3)21(24-14-18-8-7-10-25(18)4)22(27)26-11-9-16-12-19(28-5)20(29-6)13-17(16)15-26/h7-8,10,12-13,21,24H,9,11,14-15H2,1-6H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136718 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccsc1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-12-15-7-9-28-14-15)21(25)24-8-6-16-10-18(26-4)19(27-5)11-17(16)13-24/h7,9-11,14,20,23H,6,8,12-13H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136698 ((S)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136720 (CHEMBL343551 | N-[1-Benzyl-2-(6,7-dimethoxy-3,4-di...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136693 ((+/-)-2-benzyl-1-(6,7-dimethoxy-3,4-dihydroisoquin...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H31NO3/c1-24(2,3)20(13-17-9-7-6-8-10-17)23(26)25-12-11-18-14-21(27-4)22(28-5)15-19(18)16-25/h6-10,14-15,20H,11-13,16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136703 ((+/-)-3-bromo-N-(1-(6,7-dimethoxy-3,4-dihydroisoqu...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1 Show InChI InChI=1S/C27H26BrFN2O4/c1-34-24-14-18-10-11-31(16-20(18)15-25(24)35-2)27(33)23(12-17-6-4-3-5-7-17)30-26(32)19-8-9-22(29)21(28)13-19/h3-9,13-15,23H,10-12,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136719 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-7-6-9-24-13-16)22(27)26-10-8-17-11-19(28-4)20(29-5)12-18(17)15-26/h6-7,9,11-13,21,25H,8,10,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136696 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)CCc1ccccc1 Show InChI InChI=1S/C20H23NO3/c1-23-18-12-16-10-11-21(14-17(16)13-19(18)24-2)20(22)9-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136706 ((S)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NCc1ccccc1 |r| Show InChI InChI=1S/C27H30N2O3/c1-31-25-16-22-13-14-29(19-23(22)17-26(25)32-2)27(30)24(15-20-9-5-3-6-10-20)28-18-21-11-7-4-8-12-21/h3-12,16-17,24,28H,13-15,18-19H2,1-2H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136715 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCCCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C26H36N2O3/c1-26(2,3)24(27-14-9-12-19-10-7-6-8-11-19)25(29)28-15-13-20-16-22(30-4)23(31-5)17-21(20)18-28/h6-8,10-11,16-17,24,27H,9,12-15,18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136716 ((S)-2-Benzylamino-1-(6,7-dimethoxy-3,4-dihydro-1H-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c1-30-23-15-21-13-14-28(18-22(21)16-24(23)31-2)26(29)25(20-11-7-4-8-12-20)27-17-19-9-5-3-6-10-19/h3-12,15-16,25,27H,13-14,17-18H2,1-2H3/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136715 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCCCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C26H36N2O3/c1-26(2,3)24(27-14-9-12-19-10-7-6-8-11-19)25(29)28-15-13-20-16-22(30-4)23(31-5)17-21(20)18-28/h6-8,10-11,16-17,24,27H,9,12-15,18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136713 ((+/-)-2-amino-1-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(N)C(C)(C)C Show InChI InChI=1S/C17H26N2O3/c1-17(2,3)15(18)16(20)19-7-6-11-8-13(21-4)14(22-5)9-12(11)10-19/h8-9,15H,6-7,10,18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136707 ((R)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](NCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136712 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)N(C)C Show InChI InChI=1S/C22H28N2O3/c1-23(2)19(12-16-8-6-5-7-9-16)22(25)24-11-10-17-13-20(26-3)21(27-4)14-18(17)15-24/h5-9,13-14,19H,10-12,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136710 ((S)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136709 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NC(=O)c1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H30N2O4/c1-24(2,3)21(25-22(27)16-9-7-6-8-10-16)23(28)26-12-11-17-13-19(29-4)20(30-5)14-18(17)15-26/h6-10,13-14,21H,11-12,15H2,1-5H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136712 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)N(C)C Show InChI InChI=1S/C22H28N2O3/c1-23(2)19(12-16-8-6-5-7-9-16)22(25)24-11-10-17-13-20(26-3)21(27-4)14-18(17)15-24/h5-9,13-14,19H,10-12,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136705 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136709 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NC(=O)c1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H30N2O4/c1-24(2,3)21(25-22(27)16-9-7-6-8-10-16)23(28)26-12-11-17-13-19(29-4)20(30-5)14-18(17)15-26/h6-10,13-14,21H,11-12,15H2,1-5H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136713 ((+/-)-2-amino-1-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(N)C(C)(C)C Show InChI InChI=1S/C17H26N2O3/c1-17(2,3)15(18)16(20)19-7-6-11-8-13(21-4)14(22-5)9-12(11)10-19/h8-9,15H,6-7,10,18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136700 ((+/-)-2-(cyclohexylmethylamino)-1-(6,7-dimethoxy-3...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCC1CCCCC1)C(C)(C)C Show InChI InChI=1S/C24H38N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h13-14,17,22,25H,6-12,15-16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136708 ((+/-)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydro...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136704 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C23H30N2O3/c1-23(2,3)21(24-18-9-7-6-8-10-18)22(26)25-12-11-16-13-19(27-4)20(28-5)14-17(16)15-25/h6-10,13-14,21,24H,11-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136706 ((S)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NCc1ccccc1 |r| Show InChI InChI=1S/C27H30N2O3/c1-31-25-16-22-13-14-29(19-23(22)17-26(25)32-2)27(30)24(15-20-9-5-3-6-10-20)28-18-21-11-7-4-8-12-21/h3-12,16-17,24,28H,13-15,18-19H2,1-2H3/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136702 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27NO3/c1-29-24-16-21-13-14-27(18-22(21)17-25(24)30-2)26(28)23(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-12,16-17,23H,13-15,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair

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