Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'ma' and Initial = 'ct'   

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))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholecystokinin receptor type A (RAT)	BDBM50005463 ((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes				J Med Chem 35: 1042-9 (1992) BindingDB Entry DOI: 10.7270/Q2HT2N8R
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093788 (CHEMBL3585957) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093815 (CHEMBL3585948) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C57H82Cl2N2O8/c1-33(2)14-12-15-34(3)43-20-21-44-40-19-18-38-26-35(22-24-56(38,10)45(40)23-25-57(43,44)11)16-13-17-39(36-27-41(50(64)46(58)29-36)52(66)60-31-48(62)68-54(4,5)6)37-28-42(51(65)47(59)30-37)53(67)61-32-49(63)69-55(7,8)9/h17,27-30,33-35,38,40,43-45,64-65H,12-16,18-26,31-32H2,1-11H3,(H,60,66)(H,61,67)/t34?,35-,38?,40?,43+,44?,45?,56-,57+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093791 (CHEMBL3585955) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cc(F)cc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-5-16(24)7-17(25)6-14)8-18(22)21(30)29-20-4-3-15(23)9-27-20/h3-7,9-10,18H,8,11H2,1-2H3,(H,27,29,30)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093795 (CHEMBL3585952) Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F |r| Show InChI InChI=1S/C23H23FN4O3/c1-14-20(12-25-15(2)27-14)31-13-23(16-7-5-4-6-8-16)10-17(23)22(29)28-21-9-19(30-3)18(24)11-26-21/h4-9,11-12,17H,10,13H2,1-3H3,(H,26,28,29)/t17-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093788 (CHEMBL3585957) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093790 (CHEMBL3585956) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-3-5-17(24)18(25)7-14)8-16(22)21(30)29-20-6-4-15(23)9-27-20/h3-7,9-10,16H,8,11H2,1-2H3,(H,27,29,30)/t16-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093798 (CHEMBL3585951) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50292929 (CHEMBL455136 | almorexant) Show SMILES CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029064 (CHEMBL3343259) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029065 (CHEMBL3343260) Show SMILES COc1ccc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093793 (E-2006 | Lemborexant) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cccc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093795 (CHEMBL3585952) Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)ncc1F |r| Show InChI InChI=1S/C23H23FN4O3/c1-14-20(12-25-15(2)27-14)31-13-23(16-7-5-4-6-8-16)10-17(23)22(29)28-21-9-19(30-3)18(24)11-26-21/h4-9,11-12,17H,10,13H2,1-3H3,(H,26,28,29)/t17-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093798 (CHEMBL3585951) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)c(F)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093791 (CHEMBL3585955) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2cc(F)cc(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-5-16(24)7-17(25)6-14)8-18(22)21(30)29-20-4-3-15(23)9-27-20/h3-7,9-10,18H,8,11H2,1-2H3,(H,27,29,30)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50094022 (CHEMBL3585940) Show SMILES CCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-3-20-21(14-26-16(2)28-20)31-15-24(18-7-5-4-6-8-18)11-19(24)23(30)29-22-10-9-17(12-25)13-27-22/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,27,29,30)/t19-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093900 (CHEMBL3585946) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,18+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50029044 (CHEMBL3343242) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccc2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C25H25NO4/c1-28-22-14-13-20(15-23(22)29-2)30-17-25(18-9-5-3-6-10-18)16-21(25)24(27)26-19-11-7-4-8-12-19/h3-15,21H,16-17H2,1-2H3,(H,26,27)/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029044 (CHEMBL3343242) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccc2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C25H25NO4/c1-28-22-14-13-20(15-23(22)29-2)30-17-25(18-9-5-3-6-10-18)16-21(25)24(27)26-19-11-7-4-8-12-19/h3-15,21H,16-17H2,1-2H3,(H,26,27)/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50094039 (CHEMBL3585938) Show SMILES CCn1cc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-137(227)105(77-199)190-135(225)103(75-197)171-115(204)73-154)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,225)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093792 (CHEMBL3585954) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-3-5-16(23)6-4-15)9-18(22)21(29)28-20-8-7-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50417257 (SB-649868) Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50094006 (CHEMBL3585942) Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H21NO4/c23-19-11-10-18(26-19)20-17-9-5-4-8-16(17)12-13-22(20)21(24)25-14-15-6-2-1-3-7-15/h1-9,18,20H,10-14H2/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093780 (CHEMBL3585936) Show SMILES CCn1cc(OCC2(CC2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1 Show InChI InChI=1S/C23H23N5O2/c1-3-28-14-20(16(2)27-28)30-15-23(18-7-5-4-6-8-18)11-19(23)22(29)26-21-10-9-17(12-24)13-25-21/h4-10,13-14,19H,3,11,15H2,1-2H3,(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50318701 (CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...) Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029064 (CHEMBL3343259) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C25H23N3O4/c1-30-21-10-9-19(12-22(21)31-2)32-16-25(18-6-4-3-5-7-18)13-20(25)24(29)28-23-11-8-17(14-26)15-27-23/h3-12,15,20H,13,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029060 (CHEMBL3343255) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2nc(C)cs2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C23H24N2O4S/c1-15-13-30-22(24-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093790 (CHEMBL3585956) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)c(F)c2)c(C)n1 |r| Show InChI InChI=1S/C22H19F3N4O2/c1-12-19(10-26-13(2)28-12)31-11-22(14-3-5-17(24)18(25)7-14)8-16(22)21(30)29-20-6-4-15(23)9-27-20/h3-7,9-10,16H,8,11H2,1-2H3,(H,27,29,30)/t16-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093794 (CHEMBL3585953) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccccc2F)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(16-5-3-4-6-18(16)24)9-17(22)21(29)28-20-8-7-15(23)10-26-20/h3-8,10-11,17H,9,12H2,1-2H3,(H,26,28,29)/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50094007 (CHEMBL3585941) Show SMILES Cc1cnc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C22H21NO4/c1-15-13-19(27-21(15)24)20-18-10-6-5-9-17(18)11-12-23(20)22(25)26-14-16-7-3-2-4-8-16/h2-10,13,19-20H,11-12,14H2,1H3/t19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
4-hydroxy-tetrahydrodipicolinate reductase (Escherichia coli)	BDBM59098 (Bi-ligand, 1) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029062 (CHEMBL3343257) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C26H23FN2O4/c1-31-22-11-9-18(13-23(22)32-2)33-15-26(16-6-4-3-5-7-16)14-19(26)24(30)25-28-20-10-8-17(27)12-21(20)29-25/h3-13,19H,14-15H2,1-2H3,(H,28,29)/t19-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029061 (CHEMBL3343256) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cc(C)on2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C23H24N2O5/c1-15-11-21(25-30-15)24-22(26)18-13-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(12-17)28-3/h4-12,18H,13-14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093800 (CHEMBL3585950) Show SMILES Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1 |r| Show InChI InChI=1S/C23H24N4O2/c1-15-9-10-24-21(11-15)27-22(28)19-12-23(19,18-7-5-4-6-8-18)14-29-20-13-25-17(3)26-16(20)2/h4-11,13,19H,12,14H2,1-3H3,(H,24,27,28)/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093801 (CHEMBL3585949) Show SMILES Cc1ccc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)nc1 |r| Show InChI InChI=1S/C23H24N4O2/c1-15-9-10-21(25-12-15)27-22(28)19-11-23(19,18-7-5-4-6-8-18)14-29-20-13-24-17(3)26-16(20)2/h4-10,12-13,19H,11,14H2,1-3H3,(H,25,27,28)/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029063 (CHEMBL3343258) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cc(ccn2)C#N)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C25H23N3O4/c1-30-21-9-8-19(13-22(21)31-2)32-16-25(18-6-4-3-5-7-18)14-20(25)24(29)28-23-12-17(15-26)10-11-27-23/h3-13,20H,14,16H2,1-2H3,(H,27,28,29)/t20-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029059 (CHEMBL3343254) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ncc(C)s2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C23H24N2O4S/c1-15-13-24-22(30-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029048 (CHEMBL3343246) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C24H24N2O4/c1-28-20-12-11-18(14-21(20)29-2)30-16-24(17-8-4-3-5-9-17)15-19(24)23(27)26-22-10-6-7-13-25-22/h3-14,19H,15-16H2,1-2H3,(H,25,26,27)/t19-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093815 (CHEMBL3585948) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(Cl)cn2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C57H82Cl2N2O8/c1-33(2)14-12-15-34(3)43-20-21-44-40-19-18-38-26-35(22-24-56(38,10)45(40)23-25-57(43,44)11)16-13-17-39(36-27-41(50(64)46(58)29-36)52(66)60-31-48(62)68-54(4,5)6)37-28-42(51(65)47(59)30-37)53(67)61-32-49(63)69-55(7,8)9/h17,27-30,33-35,38,40,43-45,64-65H,12-16,18-26,31-32H2,1-11H3,(H,60,66)(H,61,67)/t34?,35-,38?,40?,43+,44?,45?,56-,57+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50093792 (CHEMBL3585954) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(F)cn2)c2ccc(F)cc2)c(C)n1 |r| Show InChI InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-3-5-16(23)6-4-15)9-18(22)21(29)28-20-8-7-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Quinone-dependent D-lactate dehydrogenase (Escherichia coli)	BDBM59099 (Bi-ligand, 2) Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Triad Therapeutics, Inc					Assay Description All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.				Chem Biol 11: 185-94 (2004) Article DOI: 10.1016/j.chembiol.2004.02.012 BindingDB Entry DOI: 10.7270/Q2K9360M
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50094006 (CHEMBL3585942) Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C21H21NO4/c23-19-11-10-18(26-19)20-17-9-5-4-8-16(17)12-13-22(20)21(24)25-14-15-6-2-1-3-7-15/h1-9,18,20H,10-14H2/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX1R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50094038 (CHEMBL3585939) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2ccc(cn2)C#N)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C21H21NO4/c23-19-11-10-18(26-19)20-17-9-5-4-8-16(17)12-13-22(20)21(24)25-14-15-6-2-1-3-7-15/h1-9,18,20H,10-14H2/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50005459 (4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...) Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Center for Bio-Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes				J Med Chem 35: 1042-9 (1992) BindingDB Entry DOI: 10.7270/Q2HT2N8R
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093976 (CHEMBL3585944) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cccnc2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23?,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50029057 (CHEMBL3343252) Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2cccnc2)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C24H24N2O4/c1-28-21-11-10-19(13-22(21)29-2)30-16-24(17-7-4-3-5-8-17)14-20(24)23(27)26-18-9-6-12-25-15-18/h3-13,15,20H,14,16H2,1-2H3,(H,26,27)/t20-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis				Bioorg Med Chem 22: 6071-88 (2014) Article DOI: 10.1016/j.bmc.2014.08.034 BindingDB Entry DOI: 10.7270/Q20R9R0Q
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50093897 (CHEMBL3585947) Show SMILES Cc1ncc(OC[C@]2(C[C@H]2C(=O)Nc2cccc(F)n2)c2ccccc2)c(C)n1 |r| Show InChI InChI=1S/C52H54N4O2.2BrH/c1-3-11-33(12-4-1)29-55-23-21-51-39-15-7-9-17-41(39)53-47(51)45-37(27-43(51)55)35(31-55)19-25-57-49(45)54-42-18-10-8-16-40(42)52-22-24-56(30-34-13-5-2-6-14-34)32-36-20-26-58-50(53)46(48(52)54)38(36)28-44(52)56;;/h1-20,37-38,43-50H,21-32H2;2*1H/q+2;;/p-2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51?,52?,55?,56?;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to human OX2R by radioligand displacement binding assay				J Med Chem 58: 4648-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00217 BindingDB Entry DOI: 10.7270/Q2125VD7
					More data for this Ligand-Target Pair

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