Compile Data Set for Download or QSAR

Found 1547 hits with Last Name = 'fieldhouse' 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
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant EP3 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobiliz...				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256877 (US9493432, 1) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1Nc1cnc2ccccc2n1 |r| Show InChI InChI=1S/C22H24N4O3/c1-28-18-11-6-12-19(29-2)21(18)22(27)26-17-10-5-9-16(17)25-20-13-23-14-7-3-4-8-15(14)24-20/h3-4,6-8,11-13,16-17H,5,9-10H2,1-2H3,(H,24,25)(H,26,27)/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256953 (US9493432, 79) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1cccn1 |r| Show InChI InChI=1S/C23H22FN5OS/c1-28(22(30)16-6-2-3-8-19(16)29-13-5-12-25-29)20-9-4-7-17(20)26-23-27-18-11-10-15(24)14-21(18)31-23/h2-3,5-6,8,10-14,17,20H,4,7,9H2,1H3,(H,26,27)/t17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256957 (US9493432, 83) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-c1nc(C)no1 |r| Show InChI InChI=1S/C23H22FN5O2S/c1-13-25-21(31-28-13)15-6-3-4-7-16(15)22(30)29(2)19-9-5-8-17(19)26-23-27-18-11-10-14(24)12-20(18)32-23/h3-4,6-7,10-12,17,19H,5,8-9H2,1-2H3,(H,26,27)/t17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256955 (US9493432, 81) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H20F2N6OS/c1-29(21(31)15-11-13(23)6-8-18(15)30-25-9-10-26-30)19-4-2-3-16(19)27-22-28-17-7-5-14(24)12-20(17)32-22/h5-12,16,19H,2-4H2,1H3,(H,27,28)/t16-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256954 (US9493432, 80) Show SMILES CN([C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C22H21FN6OS/c1-28(21(30)15-5-2-3-7-18(15)29-24-11-12-25-29)19-8-4-6-16(19)26-22-27-17-10-9-14(23)13-20(17)31-22/h2-3,5,7,9-13,16,19H,4,6,8H2,1H3,(H,26,27)/t16-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419410 (CHEMBL1915252) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H15ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210775 (US10463663, Example 4 | US11129828, Example 4 | US...) Show SMILES Oc1cc(SCc2ccc(Cl)cc2)n[nH]c1=O Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)6-17-10-5-9(15)11(16)14-13-10/h1-5H,6H2,(H,13,15)(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...				US Patent US10463663 (2019) BindingDB Entry DOI: 10.7270/Q20K2BXG
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210775 (US10463663, Example 4 | US11129828, Example 4 | US...) Show SMILES Oc1cc(SCc2ccc(Cl)cc2)n[nH]c1=O Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)6-17-10-5-9(15)11(16)14-13-10/h1-5H,6H2,(H,13,15)(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.4	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				US Patent US9290456 (2016) BindingDB Entry DOI: 10.7270/Q2RF5SW0
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210775 (US10463663, Example 4 | US11129828, Example 4 | US...) Show SMILES Oc1cc(SCc2ccc(Cl)cc2)n[nH]c1=O Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)6-17-10-5-9(15)11(16)14-13-10/h1-5H,6H2,(H,13,15)(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				Citation and Details BindingDB Entry DOI: 10.7270/Q27W6GCR
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210775 (US10463663, Example 4 | US11129828, Example 4 | US...) Show SMILES Oc1cc(SCc2ccc(Cl)cc2)n[nH]c1=O Show InChI InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)6-17-10-5-9(15)11(16)14-13-10/h1-5H,6H2,(H,13,15)(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				Bioorg Med Chem Lett 18: 4282-6 (2008) BindingDB Entry DOI: 10.7270/Q2F76FWC
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419415 (CHEMBL1915015) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)C1CCCCC1)C(O)=O Show InChI InChI=1S/C20H21ClN2O3/c1-12-7-17(20(24)25)22-23(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256879 (US9493432, 3) Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C21H22FN3O3S/c1-27-16-7-4-8-17(28-2)19(16)20(26)23-13-5-3-6-14(13)24-21-25-15-10-9-12(22)11-18(15)29-21/h4,7-11,13-14H,3,5-6H2,1-2H3,(H,23,26)(H,24,25)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256910 (US9493432, 34) Show SMILES COc1cccc(OC)c1C(=O)N(C)[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C22H24FN3O3S/c1-26(21(27)20-17(28-2)8-5-9-18(20)29-3)16-7-4-6-14(16)24-22-25-15-11-10-13(23)12-19(15)30-22/h5,8-12,14,16H,4,6-7H2,1-3H3,(H,24,25)/t14-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185336 (US10011588, Example 158 | US10689373, Example 158 ...) Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256949 (US9493432, 75) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3nccn3)sc2c1 |r| Show InChI InChI=1S/C21H19FN6OS/c22-13-8-9-17-19(12-13)30-21(27-17)26-16-6-3-5-15(16)25-20(29)14-4-1-2-7-18(14)28-23-10-11-24-28/h1-2,4,7-12,15-16H,3,5-6H2,(H,25,29)(H,26,27)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185336 (US10011588, Example 158 | US10689373, Example 158 ...) Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185336 (US10011588, Example 158 | US10689373, Example 158 ...) Show SMILES CCc1nc(cnc1N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1-c1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O/c1-2-16-21(30-12-19(31-16)23(25,26)27)32-17-5-3-6-18(17)33-22(34)15-11-13(24)7-8-14(15)20-28-9-4-10-29-20/h4,7-12,17-18H,2-3,5-6H2,1H3,(H,30,32)(H,33,34)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419411 (CHEMBL1915012) Show SMILES CC(C)c1cc2cc(Cl)cc(Cn3nc(cc3C)C(O)=O)c2o1 Show InChI InChI=1S/C17H17ClN2O3/c1-9(2)15-7-11-5-13(18)6-12(16(11)23-15)8-20-10(3)4-14(19-20)17(21)22/h4-7,9H,8H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419403 (CHEMBL1914467) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC1CC1 Show InChI InChI=1S/C23H20ClN3O2/c1-14-9-20(23(28)25-19-7-8-19)26-27(14)13-17-11-18(24)10-16-12-21(29-22(16)17)15-5-3-2-4-6-15/h2-6,9-12,19H,7-8,13H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419417 (CHEMBL1915254) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(N)=O Show InChI InChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210789 (US10463663, Example 24 | US11129828, Example 24 | ...) Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1F Show InChI InChI=1S/C13H13FN2O2/c1-8-6-9(3-5-11(8)14)2-4-10-7-12(17)13(18)16-15-10/h3,5-7H,2,4H2,1H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...				US Patent US10463663 (2019) BindingDB Entry DOI: 10.7270/Q20K2BXG
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210789 (US10463663, Example 24 | US11129828, Example 24 | ...) Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1F Show InChI InChI=1S/C13H13FN2O2/c1-8-6-9(3-5-11(8)14)2-4-10-7-12(17)13(18)16-15-10/h3,5-7H,2,4H2,1H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				US Patent US9290456 (2016) BindingDB Entry DOI: 10.7270/Q2RF5SW0
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185275 (US10011588, Example 91 | US10689373, Example 91 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210789 (US10463663, Example 24 | US11129828, Example 24 | ...) Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1F Show InChI InChI=1S/C13H13FN2O2/c1-8-6-9(3-5-11(8)14)2-4-10-7-12(17)13(18)16-15-10/h3,5-7H,2,4H2,1H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				Bioorg Med Chem Lett 18: 4282-6 (2008) BindingDB Entry DOI: 10.7270/Q2F76FWC
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210789 (US10463663, Example 24 | US11129828, Example 24 | ...) Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1F Show InChI InChI=1S/C13H13FN2O2/c1-8-6-9(3-5-11(8)14)2-4-10-7-12(17)13(18)16-15-10/h3,5-7H,2,4H2,1H3,(H,15,17)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				Citation and Details BindingDB Entry DOI: 10.7270/Q27W6GCR
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185275 (US10011588, Example 91 | US10689373, Example 91 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185275 (US10011588, Example 91 | US10689373, Example 91 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-c1ncccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N6O/c1-21(31-18-13-28-17(12-29-18)22(23,24)25)9-4-8-16(21)30-20(32)15-7-3-2-6-14(15)19-26-10-5-11-27-19/h2-3,5-7,10-13,16H,4,8-9H2,1H3,(H,29,31)(H,30,32)/t16-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419419 (CHEMBL1915262) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)NC[C@H]1CCCO1 |r| Show InChI InChI=1S/C25H24ClN3O3/c1-16-10-22(25(30)27-14-21-8-5-9-31-21)28-29(16)15-19-12-20(26)11-18-13-23(32-24(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13,21H,5,8-9,14-15H2,1H3,(H,27,30)/t21-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256911 (US9493432, 35) Show SMILES Fc1ccc2nc(N[C@H]3CCC[C@@H]3NC(=O)c3ccccc3-n3cccn3)sc2c1 |r| Show InChI InChI=1S/C22H20FN5OS/c23-14-9-10-18-20(13-14)30-22(27-18)26-17-7-3-6-16(17)25-21(29)15-5-1-2-8-19(15)28-12-4-11-24-28/h1-2,4-5,8-13,16-17H,3,6-7H2,(H,25,29)(H,26,27)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185325 (US10011588, Example 146 | US10689373, Example 146 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185265 (US10011588, Example 81 | US10689373, Example 81 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM256979 (US9493432, 107) Show SMILES CC1(CCCC1NC(=O)c1ccccc1-n1nccn1)Nc1nc2ccc(F)cc2s1 Show InChI InChI=1S/C22H21FN6OS/c1-22(28-21-26-16-9-8-14(23)13-18(16)31-21)10-4-7-19(22)27-20(30)15-5-2-3-6-17(15)29-24-11-12-25-29/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3,(H,26,28)(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	37
Takeda Pharmaceuticals Company Limited US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US9493432 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VJT
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185265 (US10011588, Example 81 | US10689373, Example 81 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185325 (US10011588, Example 146 | US10689373, Example 146 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185325 (US10011588, Example 146 | US10689373, Example 146 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-c1ncccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C22H20F4N6O/c1-21(32-19-15(23)11-13(12-30-19)22(24,25)26)7-2-6-16(21)31-20(33)17-14(5-3-8-27-17)18-28-9-4-10-29-18/h3-5,8-12,16H,2,6-7H2,1H3,(H,30,32)(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185265 (US10011588, Example 81 | US10689373, Example 81 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O/c1-19(29-17-12-24-16(11-25-17)20(21,22)23)8-4-7-15(19)28-18(31)13-5-2-3-6-14(13)30-26-9-10-27-30/h2-3,5-6,9-12,15H,4,7-8H2,1H3,(H,25,29)(H,28,31)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50419408 (CHEMBL1915261) Show SMILES Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)-c1ccccc1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:29.33,(19.51,-3.15,;19.53,-1.54,;21.04,-1.85,;21.81,-.51,;20.77,.63,;19.36,-.01,;18.02,.76,;16.69,-.02,;15.36,.75,;14.03,-.02,;12.69,.75,;14.03,-1.57,;15.36,-2.34,;15.68,-3.85,;17.21,-4.01,;17.84,-2.6,;16.7,-1.57,;17.98,-5.35,;17.2,-6.67,;17.96,-8.01,;19.51,-8.01,;20.28,-6.67,;19.51,-5.34,;23.34,-.35,;23.96,1.06,;24.25,-1.59,;25.78,-1.59,;26.55,-.26,;28.09,-.26,;28.85,-1.59,;30.39,-1.6,;28.08,-2.92,;26.55,-2.92,)| Show InChI InChI=1S/C26H26ClN3O3/c1-16-11-23(26(32)28-21-7-9-22(31)10-8-21)29-30(16)15-19-13-20(27)12-18-14-24(33-25(18)19)17-5-3-2-4-6-17/h2-6,11-14,21-22,31H,7-10,15H2,1H3,(H,28,32)/t21-,22-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting				Bioorg Med Chem Lett 21: 4343-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.047 BindingDB Entry DOI: 10.7270/Q2RN394N
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185332 (US10011588, Example 155 | US10689373, Example 155 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185287 (US10011588, Example 103 | US10689373, Example 103 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-13(21)10-12(11-26-17)20(22,23)24)6-2-5-15(19)29-18(32)16-14(4-3-7-25-16)31-27-8-9-28-31/h3-4,7-11,15H,2,5-6H2,1H3,(H,26,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185276 (US10011588, Example 92 | US10689373, Example 92 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185271 (US10011588, Example 87 | US10689373, Example 87 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185332 (US10011588, Example 155 | US10689373, Example 155 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185332 (US10011588, Example 155 | US10689373, Example 155 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-19(29-16-7-6-13(12-25-16)20(21,22)23)8-2-5-15(19)28-18(31)17-14(4-3-9-24-17)30-26-10-11-27-30/h3-4,6-7,9-12,15H,2,5,8H2,1H3,(H,25,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Vertex					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				J Med Chem 52: 6362-8 (2009) BindingDB Entry DOI: 10.7270/Q2891871
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185271 (US10011588, Example 87 | US10689373, Example 87 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185276 (US10011588, Example 92 | US10689373, Example 92 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185287 (US10011588, Example 103 | US10689373, Example 103 ...) Show SMILES CC1(CCCC1NC(=O)c1ncccc1-n1nccn1)Nc1ncc(cc1F)C(F)(F)F Show InChI InChI=1S/C20H19F4N7O/c1-19(30-17-13(21)10-12(11-26-17)20(22,23)24)6-2-5-15(19)29-18(32)16-14(4-3-7-25-16)31-27-8-9-28-31/h3-4,7-11,15H,2,5-6H2,1H3,(H,26,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	37
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca.sup.2+ sensitive fluorescent dye. The chang...				US Patent US9156829 (2015) BindingDB Entry DOI: 10.7270/Q2X9293X
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185271 (US10011588, Example 87 | US10689373, Example 87 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1c(Cl)cccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-16-11-25-15(10-26-16)20(22,23)24)7-3-6-14(19)29-18(32)17-12(21)4-2-5-13(17)31-27-8-9-28-31/h2,4-5,8-11,14H,3,6-7H2,1H3,(H,26,30)(H,29,32)/t14-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM185276 (US10011588, Example 92 | US10689373, Example 92 | ...) Show SMILES C[C@@]1(CCC[C@@H]1NC(=O)c1cc(Cl)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF3N7O/c1-19(30-17-11-25-16(10-26-17)20(22,23)24)6-2-3-15(19)29-18(32)13-9-12(21)4-5-14(13)31-27-7-8-28-31/h4-5,7-11,15H,2-3,6H2,1H3,(H,26,30)(H,29,32)/t15-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TAKEDA PHARMACEUTICAL COMPANY LIMITED US Patent					Assay Description Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...				US Patent US10689373 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZJF
					More data for this Ligand-Target Pair

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