Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'meacham harrell' and Initial = 'c'   

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))	BDBM50444605 (CHEMBL3099899) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(Cl)cc(Cl)c2)cc1OC Show InChI InChI=1S/C26H21Cl2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374443 (CHEMBL272715) Show SMILES Cc1ccc2n(C)c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1 Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-21-20(16-18)28-26(29(21)2)34-17-24(32)31-15-7-10-23(31)25(33)27-19-8-3-4-9-22(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,23H,7,10,15,17H2,1-2H3,(H,27,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374442 (CHEMBL255763) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1 Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-20-23(16-18)29(2)26(28-20)34-17-24(32)31-15-7-10-22(31)25(33)27-19-8-3-4-9-21(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,22H,7,10,15,17H2,1-2H3,(H,27,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374441 (CHEMBL429848) Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374444 (CHEMBL401653) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1 Show InChI InChI=1S/C25H25N5O2S/c1-17-10-11-18-20(15-17)28-25(27-18)33-16-23(31)30-14-6-9-22(30)24(32)26-19-7-2-3-8-21(19)29-12-4-5-13-29/h2-5,7-8,10-13,15,22H,6,9,14,16H2,1H3,(H,26,32)(H,27,28)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374448 (CHEMBL429130) Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12 Show InChI InChI=1S/C25H25N5O2S/c1-28-20-11-4-2-9-18(20)27-25(28)33-17-23(31)30-16-8-13-22(30)24(32)26-19-10-3-5-12-21(19)29-14-6-7-15-29/h2-7,9-12,14-15,22H,8,13,16-17H2,1H3,(H,26,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374456 (CHEMBL256789) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-13-6-7-14-22(21)29-26)30-16-8-15-23(30)25(32)27-20-12-5-4-11-19(20)18-9-2-1-3-10-18/h1-7,9-14,23H,8,15-17H2,(H,27,32)(H,28,29)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444606 (CHEMBL3099898) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(F)cc(Cl)c2)cc1OC Show InChI InChI=1S/C26H21ClFN3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444611 (CHEMBL3099893) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(C)cc(C)c2)cc1OC Show InChI InChI=1S/C28H27N3O3/c1-18-10-19(2)12-22(11-18)23-14-24(27(30-17-23)21-6-5-9-29-16-21)28(32)31-15-20-7-8-25(33-3)26(13-20)34-4/h5-14,16-17H,15H2,1-4H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374443 (CHEMBL272715) Show SMILES Cc1ccc2n(C)c(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)nc2c1 Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-21-20(16-18)28-26(29(21)2)34-17-24(32)31-15-7-10-23(31)25(33)27-19-8-3-4-9-22(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,23H,7,10,15,17H2,1-2H3,(H,27,33)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374440 (CHEMBL445161) Show SMILES Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C28H28N4O2/c1-31-24-15-8-7-14-23(24)29-26(31)17-18-27(33)32-19-9-16-25(32)28(34)30-22-13-6-5-12-21(22)20-10-3-2-4-11-20/h2-8,10-15,25H,9,16-19H2,1H3,(H,30,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444610 (CHEMBL3099894) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(C)cc(F)c2)cc1OC Show InChI InChI=1S/C27H24FN3O3/c1-17-9-20(12-22(28)10-17)21-13-23(26(30-16-21)19-5-4-8-29-15-19)27(32)31-14-18-6-7-24(33-2)25(11-18)34-3/h4-13,15-16H,14H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50232703 ((S)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 |r| Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444607 (CHEMBL3099897) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cccc(Cl)c2)cc1OC Show InChI InChI=1S/C26H22ClN3O3/c1-32-23-9-8-17(11-24(23)33-2)14-30-26(31)22-13-20(18-5-3-7-21(27)12-18)16-29-25(22)19-6-4-10-28-15-19/h3-13,15-16H,14H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374451 (CHEMBL255780) Show SMILES COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C28H28N4O3/c1-35-25-15-7-3-10-20(25)19-9-2-4-11-21(19)31-28(34)24-14-8-18-32(24)27(33)17-16-26-29-22-12-5-6-13-23(22)30-26/h2-7,9-13,15,24H,8,14,16-18H2,1H3,(H,29,30)(H,31,34)/t24-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374442 (CHEMBL255763) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)n(C)c2c1 Show InChI InChI=1S/C26H27N5O2S/c1-18-11-12-20-23(16-18)29(2)26(28-20)34-17-24(32)31-15-7-10-22(31)25(33)27-19-8-3-4-9-21(19)30-13-5-6-14-30/h3-6,8-9,11-14,16,22H,7,10,15,17H2,1-2H3,(H,27,33)/t22-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374446 (CHEMBL403667) Show SMILES O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 Show InChI InChI=1S/C24H22N4O2S2/c29-22(16-31-24-26-18-9-2-4-12-21(18)32-24)28-15-7-11-20(28)23(30)25-17-8-1-3-10-19(17)27-13-5-6-14-27/h1-6,8-10,12-14,20H,7,11,15-16H2,(H,25,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374447 (CHEMBL404734) Show SMILES Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12 Show InChI InChI=1S/C26H27N5O2/c1-29-21-11-4-2-9-19(21)27-24(29)14-15-25(32)31-18-8-13-23(31)26(33)28-20-10-3-5-12-22(20)30-16-6-7-17-30/h2-7,9-12,16-17,23H,8,13-15,18H2,1H3,(H,28,33)/t23-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444618 (CHEMBL3099886) Show SMILES CN1CCc2cc(CNC(=O)c3cc(cnc3-c3cccnc3)-c3cc(C)cc(C)c3)ccc12 Show InChI InChI=1S/C29H28N4O/c1-19-11-20(2)13-24(12-19)25-15-26(28(31-18-25)23-5-4-9-30-17-23)29(34)32-16-21-6-7-27-22(14-21)8-10-33(27)3/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3,(H,32,34)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374444 (CHEMBL401653) Show SMILES Cc1ccc2nc(SCC(=O)N3CCC[C@H]3C(=O)Nc3ccccc3-n3cccc3)[nH]c2c1 Show InChI InChI=1S/C25H25N5O2S/c1-17-10-11-18-20(15-17)28-25(27-18)33-16-23(31)30-14-6-9-22(30)24(32)26-19-7-2-3-8-21(19)29-12-4-5-13-29/h2-5,7-8,10-13,15,22H,6,9,14,16H2,1H3,(H,26,32)(H,27,28)/t22-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374453 (CHEMBL271438) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C26H24N4O3S/c31-24(17-34-26-28-19-11-4-5-12-20(19)29-26)30-16-8-14-22(30)25(32)27-21-13-6-7-15-23(21)33-18-9-2-1-3-10-18/h1-7,9-13,15,22H,8,14,16-17H2,(H,27,32)(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374441 (CHEMBL429848) Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374450 (CHEMBL404053) Show SMILES Fc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H25FN4O2/c28-20-10-3-1-8-18(20)19-9-2-4-11-21(19)31-27(34)24-14-7-17-32(24)26(33)16-15-25-29-22-12-5-6-13-23(22)30-25/h1-6,8-13,24H,7,14-17H2,(H,29,30)(H,31,34)/t24-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444612 (CHEMBL3099892) Show SMILES Cc1cc(C)cc(c1)-c1cnc(-c2cccnc2)c(c1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C27H21F4N3O/c1-16-8-17(2)10-20(9-16)21-12-22(25(33-15-21)19-4-3-7-32-14-19)26(35)34-13-18-5-6-23(24(28)11-18)27(29,30)31/h3-12,14-15H,13H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444615 (CHEMBL3099889) Show SMILES CN(C)c1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C28H28N4O/c1-19-12-20(2)14-23(13-19)24-15-26(27(30-18-24)22-6-5-11-29-17-22)28(33)31-16-21-7-9-25(10-8-21)32(3)4/h5-15,17-18H,16H2,1-4H3,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374452 (CHEMBL271232) Show SMILES O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H26N4O2/c32-26(17-16-25-28-22-13-6-7-14-23(22)29-25)31-18-8-15-24(31)27(33)30-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,28,29)(H,30,33)/t24-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374445 (CHEMBL404343) Show SMILES O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 Show InChI InChI=1S/C24H22N4O3S/c29-22(16-32-24-26-18-9-2-4-12-21(18)31-24)28-15-7-11-20(28)23(30)25-17-8-1-3-10-19(17)27-13-5-6-14-27/h1-6,8-10,12-14,20H,7,11,15-16H2,(H,25,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444609 (CHEMBL3099895) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(F)cc(F)c2)cc1OC Show InChI InChI=1S/C26H21F2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374448 (CHEMBL429130) Show SMILES Cn1c(SCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12 Show InChI InChI=1S/C25H25N5O2S/c1-28-20-11-4-2-9-18(20)27-25(28)33-17-23(31)30-16-8-13-22(30)24(32)26-19-10-3-5-12-21(19)29-14-6-7-15-29/h2-7,9-12,14-15,22H,8,13,16-17H2,1H3,(H,26,32)/t22-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374456 (CHEMBL256789) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-13-6-7-14-22(21)29-26)30-16-8-15-23(30)25(32)27-20-12-5-4-11-19(20)18-9-2-1-3-10-18/h1-7,9-14,23H,8,15-17H2,(H,27,32)(H,28,29)/t23-/m0/s1	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374454 (CHEMBL256788) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H24N4O2S/c31-24(17-33-26-28-21-9-4-5-10-22(21)29-26)30-16-6-11-23(30)25(32)27-20-14-12-19(13-15-20)18-7-2-1-3-8-18/h1-5,7-10,12-15,23H,6,11,16-17H2,(H,27,32)(H,28,29)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50374449 (CHEMBL404153) Show SMILES O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 Show InChI InChI=1S/C25H25N5O2/c31-24(14-13-23-26-18-8-1-2-9-19(18)27-23)30-17-7-12-22(30)25(32)28-20-10-3-4-11-21(20)29-15-5-6-16-29/h1-6,8-11,15-16,22H,7,12-14,17H2,(H,26,27)(H,28,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374440 (CHEMBL445161) Show SMILES Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12 Show InChI InChI=1S/C28H28N4O2/c1-31-24-15-8-7-14-23(24)29-26(31)17-18-27(33)32-19-9-16-25(32)28(34)30-22-13-6-5-12-21(22)20-10-3-2-4-11-20/h2-8,10-15,25H,9,16-19H2,1H3,(H,30,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444620 (CHEMBL3099884) Show SMILES Cc1cc(C)cc(c1)-c1cnc(-c2cccnc2)c(c1)C(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C27H23N3O3/c1-17-8-18(2)10-21(9-17)22-12-23(26(29-15-22)20-4-3-7-28-14-20)27(31)30-13-19-5-6-24-25(11-19)33-16-32-24/h3-12,14-15H,13,16H2,1-2H3,(H,30,31)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444613 (CHEMBL3099891) Show SMILES Cc1cc(C)cc(c1)-c1cnc(-c2cccnc2)c(c1)C(=O)NCc1ccc(F)c(C)c1 Show InChI InChI=1S/C27H24FN3O/c1-17-9-18(2)11-22(10-17)23-13-24(26(30-16-23)21-5-4-8-29-15-21)27(32)31-14-20-6-7-25(28)19(3)12-20/h4-13,15-16H,14H2,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444616 (CHEMBL3099888) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C27H25N3O2/c1-18-11-19(2)13-22(12-18)23-14-25(26(29-17-23)21-5-4-10-28-16-21)27(31)30-15-20-6-8-24(32-3)9-7-20/h4-14,16-17H,15H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374450 (CHEMBL404053) Show SMILES Fc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H25FN4O2/c28-20-10-3-1-8-18(20)19-9-2-4-11-21(19)31-27(34)24-14-7-17-32(24)26(33)16-15-25-29-22-12-5-6-13-23(22)30-25/h1-6,8-13,24H,7,14-17H2,(H,29,30)(H,31,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50232703 ((S)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 |r| Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374446 (CHEMBL403667) Show SMILES O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 Show InChI InChI=1S/C24H22N4O2S2/c29-22(16-31-24-26-18-9-2-4-12-21(18)32-24)28-15-7-11-20(28)23(30)25-17-8-1-3-10-19(17)27-13-5-6-14-27/h1-6,8-10,12-14,20H,7,11,15-16H2,(H,25,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374452 (CHEMBL271232) Show SMILES O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C27H26N4O2/c32-26(17-16-25-28-22-13-6-7-14-23(22)29-25)31-18-8-15-24(31)27(33)30-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,28,29)(H,30,33)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444614 (CHEMBL3099890) Show SMILES COc1cccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(C)cc(C)c2)c1 Show InChI InChI=1S/C27H25N3O2/c1-18-10-19(2)12-22(11-18)23-14-25(26(29-17-23)21-7-5-9-28-16-21)27(31)30-15-20-6-4-8-24(13-20)32-3/h4-14,16-17H,15H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374447 (CHEMBL404734) Show SMILES Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12 Show InChI InChI=1S/C26H27N5O2/c1-29-21-11-4-2-9-19(21)27-24(29)14-15-25(32)31-18-8-13-23(31)26(33)28-20-10-3-5-12-22(20)30-16-6-7-17-30/h2-7,9-12,16-17,23H,8,13-15,18H2,1H3,(H,28,33)/t23-/m0/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374453 (CHEMBL271438) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C26H24N4O3S/c31-24(17-34-26-28-19-11-4-5-12-20(19)29-26)30-16-8-14-22(30)25(32)27-21-13-6-7-15-23(21)33-18-9-2-1-3-10-18/h1-7,9-13,15,22H,8,14,16-17H2,(H,27,32)(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444617 (CHEMBL3099887) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1cc(cnc1-c1cccnc1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C29H25N5O/c1-19-11-20(2)13-23(12-19)24-15-25(28(33-17-24)22-5-4-8-30-16-22)29(35)34(3)18-21-6-7-26-27(14-21)32-10-9-31-26/h4-17H,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374451 (CHEMBL255780) Show SMILES COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C28H28N4O3/c1-35-25-15-7-3-10-20(25)19-9-2-4-11-21(19)31-28(34)24-14-8-18-32(24)27(33)17-16-26-29-22-12-5-6-13-23(22)30-26/h2-7,9-13,15,24H,8,14,16-18H2,1H3,(H,29,30)(H,31,34)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50444605 (CHEMBL3099899) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(Cl)cc(Cl)c2)cc1OC Show InChI InChI=1S/C26H21Cl2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-1 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374445 (CHEMBL404343) Show SMILES O=C(CSc1nc2ccccc2o1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 Show InChI InChI=1S/C24H22N4O3S/c29-22(16-32-24-26-18-9-2-4-12-21(18)31-24)28-15-7-11-20(28)23(30)25-17-8-1-3-10-19(17)27-13-5-6-14-27/h1-6,8-10,12-14,20H,7,11,15-16H2,(H,25,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50444608 (CHEMBL3099896) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2-c2cccnc2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1OC Show InChI InChI=1S/C28H21F6N3O3/c1-39-23-6-5-16(8-24(23)40-2)13-37-26(38)22-11-19(15-36-25(22)17-4-3-7-35-14-17)18-9-20(27(29,30)31)12-21(10-18)28(32,33)34/h3-12,14-15H,13H2,1-2H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6620-4 (2013) Article DOI: 10.1016/j.bmcl.2013.10.045 BindingDB Entry DOI: 10.7270/Q2WH2RFJ
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50374449 (CHEMBL404153) Show SMILES O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1-n1cccc1 Show InChI InChI=1S/C25H25N5O2/c31-24(14-13-23-26-18-8-1-2-9-19(18)27-23)30-17-7-12-22(30)25(32)28-20-10-3-4-11-21(20)29-15-5-6-16-29/h1-6,8-11,15-16,22H,7,12-14,17H2,(H,26,27)(H,28,32)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expres...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50232720 ((R)-1-(2-(1H-benzo[d]imidazol-2-ylthio)acetyl)-N-(...) Show SMILES O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1cccc1 |r| Show InChI InChI=1S/C24H23N5O2S/c30-22(16-32-24-26-17-8-1-2-9-18(17)27-24)29-15-7-12-21(29)23(31)25-19-10-3-4-11-20(19)28-13-5-6-14-28/h1-6,8-11,13-14,21H,7,12,15-16H2,(H,25,31)(H,26,27)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...				Bioorg Med Chem Lett 18: 1425-30 (2008) Article DOI: 10.1016/j.bmcl.2008.01.001 BindingDB Entry DOI: 10.7270/Q2N87BM4
					More data for this Ligand-Target Pair

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