Compile Data Set for Download or QSAR

Found 496 hits with Last Name = 'hintermann' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441372 (CHEMBL2435400) Show SMILES COc1ccc2[nH]cc(CN3CCCC4(CCN(CC4)c4nc(C)cc(C)n4)C3=O)c2c1 Show InChI InChI=1S/C25H31N5O2/c1-17-13-18(2)28-24(27-17)29-11-8-25(9-12-29)7-4-10-30(23(25)31)16-19-15-26-22-6-5-20(32-3)14-21(19)22/h5-6,13-15,26H,4,7-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102168 (US8530648, 75) Show SMILES O=C1CCCC2(CCN(CC2)c2cnc3ccccc3n2)N1Cc1cccc2[nH]ccc12 Show InChI InChI=1S/C26H27N5O/c32-25-9-4-11-26(31(25)18-19-5-3-8-21-20(19)10-14-27-21)12-15-30(16-13-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-8,10,14,17,27H,4,9,11-13,15-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441378 (CHEMBL2435410) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCC(=O)N2Cc2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C24H29N5O/c1-17-15-18(2)27-23(26-17)28-13-10-24(11-14-28)9-4-7-22(30)29(24)16-19-5-3-6-21-20(19)8-12-25-21/h3,5-6,8,12,15,25H,4,7,9-11,13-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441368 (CHEMBL2435396) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3[nH]nnc3-c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C24H29N7O/c1-17-15-18(2)26-23(25-17)30-13-10-24(11-14-30)9-6-12-31(22(24)32)16-20-21(28-29-27-20)19-7-4-3-5-8-19/h3-5,7-8,15H,6,9-14,16H2,1-2H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123325 (US8742106, 1.4) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123341 (US8742106, 1.45) Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123338 (US8742106, 1.38) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102172 (US8530648, 94) Show SMILES O=C1CCCC2(CCN(CC2)c2nc3ccccc3o2)N1Cc1cccc2[nH]ccc12 Show InChI InChI=1S/C25H26N4O2/c30-23-9-4-11-25(29(23)17-18-5-3-7-20-19(18)10-14-26-20)12-15-28(16-13-25)24-27-21-6-1-2-8-22(21)31-24/h1-3,5-8,10,14,26H,4,9,11-13,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50198702 ((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...) Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7| Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441369 (CHEMBL2435397) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3[nH]ncc3-c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C25H30N6O/c1-18-15-19(2)28-24(27-18)30-13-10-25(11-14-30)9-6-12-31(23(25)32)17-22-21(16-26-29-22)20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123338 (US8742106, 1.38) Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123357 (US8742106, 4.7) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123325 (US8742106, 1.4) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441380 (CHEMBL2435395) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3nn(C)nc3-c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C25H31N7O/c1-18-16-19(2)27-24(26-18)31-14-11-25(12-15-31)10-7-13-32(23(25)33)17-21-22(29-30(3)28-21)20-8-5-4-6-9-20/h4-6,8-9,16H,7,10-15,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123357 (US8742106, 4.7) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441371 (CHEMBL2435398) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3n[nH]c4ccccc34)C2=O)CC1 Show InChI InChI=1S/C23H28N6O/c1-16-14-17(2)25-22(24-16)28-12-9-23(10-13-28)8-5-11-29(21(23)30)15-20-18-6-3-4-7-19(18)26-27-20/h3-4,6-7,14H,5,8-13,15H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441374 (CHEMBL2435403) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1 Show InChI InChI=1S/C24H29N5O/c1-17-14-18(2)27-23(26-17)28-12-9-24(10-13-28)8-5-11-29(22(24)30)16-19-15-25-21-7-4-3-6-20(19)21/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50133874 (CHEMBL3634021) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123327 (US8742106, 1.6) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r| Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123325 (US8742106, 1.4) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Mus musculus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM102168 (US8530648, 75) Show SMILES O=C1CCCC2(CCN(CC2)c2cnc3ccccc3n2)N1Cc1cccc2[nH]ccc12 Show InChI InChI=1S/C26H27N5O/c32-25-9-4-11-26(31(25)18-19-5-3-8-21-20(19)10-14-27-21)12-15-30(16-13-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-8,10,14,17,27H,4,9,11-13,15-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50133874 (CHEMBL3634021) Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)/t13-/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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50123005 (2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...) Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1 Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Orexin receptor type 2 (Homo sapiens (Human))	BDBM102171 (US8530648, 85) Show SMILES Cc1ccc(C)c(CN2C(=O)CCCC22CCN(CC2)c2cnc3ccccc3n2)c1 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-20(2)21(16-19)18-30-25(31)8-5-11-26(30)12-14-29(15-13-26)24-17-27-22-6-3-4-7-23(22)28-24/h3-4,6-7,9-10,16-17H,5,8,11-15,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123325 (US8742106, 1.4) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441375 (CHEMBL2435402) Show SMILES COc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1 Show InChI InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123358 (US8742106, 4.8) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441370 (CHEMBL2435399) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3c[nH]c4ncccc34)C2=O)CC1 Show InChI InChI=1S/C23H28N6O/c1-16-13-17(2)27-22(26-16)28-11-7-23(8-12-28)6-4-10-29(21(23)30)15-18-14-25-20-19(18)5-3-9-24-20/h3,5,9,13-14H,4,6-8,10-12,15H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441381 (CHEMBL2435394) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3nn(C)cc3-c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C26H32N6O/c1-19-16-20(2)28-25(27-19)31-14-11-26(12-15-31)10-7-13-32(24(26)33)18-23-22(17-30(3)29-23)21-8-5-4-6-9-21/h4-6,8-9,16-17H,7,10-15,18H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM102172 (US8530648, 94) Show SMILES O=C1CCCC2(CCN(CC2)c2nc3ccccc3o2)N1Cc1cccc2[nH]ccc12 Show InChI InChI=1S/C25H26N4O2/c30-23-9-4-11-25(29(23)17-18-5-3-7-20-19(18)10-14-26-20)12-15-28(16-13-25)24-27-21-6-1-2-8-22(21)31-24/h1-3,5-8,10,14,26H,4,9,11-13,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50441372 (CHEMBL2435400) Show SMILES COc1ccc2[nH]cc(CN3CCCC4(CCN(CC4)c4nc(C)cc(C)n4)C3=O)c2c1 Show InChI InChI=1S/C25H31N5O2/c1-17-13-18(2)28-24(27-17)29-11-8-25(9-12-29)7-4-10-30(23(25)31)16-19-15-26-22-6-5-20(32-3)14-21(19)22/h5-6,13-15,26H,4,7-12,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441373 (CHEMBL2435401) Show SMILES Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3cn(C)c4ccccc34)C2=O)CC1 Show InChI InChI=1S/C25H31N5O/c1-18-15-19(2)27-24(26-18)29-13-10-25(11-14-29)9-6-12-30(23(25)31)17-20-16-28(3)22-8-5-4-7-21(20)22/h4-5,7-8,15-16H,6,9-14,17H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123398 (US8742106, 6.63) Show SMILES Cc1ccc2[C@H](CCc2n1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1 |r| Show InChI InChI=1S/C22H25N5O2/c1-12-10-19(25-22-20(12)21(14-5-6-14)26-27(22)3)29-11-18(28)24-17-9-8-16-15(17)7-4-13(2)23-16/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3,(H,24,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123342 (US8742106, 1.46) Show SMILES COc1cccc(c1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(17-10-7-11-18(12-17)34-3)29-20(33)14-35-21-13-19(25(26,27)28)22-23(16-8-5-4-6-9-16)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50441376 (CHEMBL2435404) Show SMILES Cc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1 Show InChI InChI=1S/C23H27N5O/c1-17-7-11-24-22(26-17)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-18-15-25-20-6-3-2-5-19(18)20/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123341 (US8742106, 1.45) Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123323 (US8742106, 1.2) Show SMILES C[C@H](NC(=O)COc1cc(c2c(n[nH]c2n1)-c1ccccc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C23H19F3N4O2/c1-14(15-8-4-2-5-9-15)27-18(31)13-32-19-12-17(23(24,25)26)20-21(29-30-22(20)28-19)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,27,31)(H,28,29,30)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM123358 (US8742106, 4.8) Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay				Bioorg Med Chem Lett 25: 5555-60 (2015) Article DOI: 10.1016/j.bmcl.2015.10.055 BindingDB Entry DOI: 10.7270/Q2WH2RVX
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Mus musculus)	BDBM50441375 (CHEMBL2435402) Show SMILES COc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1 Show InChI InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM...				J Med Chem 56: 7590-607 (2013) Article DOI: 10.1021/jm4007627 BindingDB Entry DOI: 10.7270/Q2M90B3S
					More data for this Ligand-Target Pair

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