Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'hashihayata' and Initial = 't'   

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
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446832 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(2-oxo-1,2- d...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc[nH]c(=O)c1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.35	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446712 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(1R)-1-(4- fl...) Show SMILES COc1cc(ccc1F)[C@@H](C)O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O |r| Show InChI InChI=1S/C17H19F2NO6/c1-7(8-3-4-10(18)11(5-8)25-2)26-12-6-9-13(16(9,19)14(21)22)17(12,20)15(23)24/h3-5,7,9,12-13H,6,20H2,1-2H3,(H,21,22)(H,23,24)/t7-,9-,12-,13+,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.04	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446712 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(1R)-1-(4- fl...) Show SMILES COc1cc(ccc1F)[C@@H](C)O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O |r| Show InChI InChI=1S/C17H19F2NO6/c1-7(8-3-4-10(18)11(5-8)25-2)26-12-6-9-13(16(9,19)14(21)22)17(12,20)15(23)24/h3-5,7,9,12-13H,6,20H2,1-2H3,(H,21,22)(H,23,24)/t7-,9-,12-,13+,16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.22	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446818 ((1R,2R,3R,5R,6R)-2-amino-3-[(5-chloropyridin-2- yl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cn1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H14ClFN2O5/c15-6-1-2-7(18-4-6)5-23-9-3-8-10(13(8,16)11(19)20)14(9,17)12(21)22/h1-2,4,8-10H,3,5,17H2,(H,19,20)(H,21,22)/t8-,9-,10+,13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446701 (US10689327, Compound (II)-2) Show SMILES OC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)c(F)c3)[C@](NC(=O)OCC=C)([C@H]12)C(O)=O Show InChI InChI=1S/C19H18F3NO7/c1-2-5-29-17(28)23-19(16(26)27)13(7-10-14(19)18(10,22)15(24)25)30-8-9-3-4-11(20)12(21)6-9/h2-4,6,10,13-14H,1,5,7-8H2,(H,23,28)(H,24,25)(H,26,27)/t10-,13-,14+,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446836 ((1S,2R,3R,5R,6S)-2-amino-3-[(3,4- difluorophenyl)m...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@@H]2C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H15F2NO5/c16-8-2-1-6(3-9(8)17)5-23-10-4-7-11(13(19)20)12(7)15(10,18)14(21)22/h1-3,7,10-12H,4-5,18H2,(H,19,20)(H,21,22)/t7-,10+,11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446784 ((1R,2R,3R,5R,6R)-2-amino-3-[(6-chloropyridin-2- yl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)n1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H14ClFN2O5/c15-9-3-1-2-6(18-9)5-23-8-4-7-10(13(7,16)11(19)20)14(8,17)12(21)22/h1-3,7-8,10H,4-5,17H2,(H,19,20)(H,21,22)/t7-,8-,10+,13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.6	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446701 (US10689327, Compound (II)-2) Show SMILES OC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)c(F)c3)[C@](NC(=O)OCC=C)([C@H]12)C(O)=O Show InChI InChI=1S/C19H18F3NO7/c1-2-5-29-17(28)23-19(16(26)27)13(7-10-14(19)18(10,22)15(24)25)30-8-9-3-4-11(20)12(21)6-9/h2-4,6,10,13-14H,1,5,7-8H2,(H,23,28)(H,24,25)(H,26,27)/t10-,13-,14+,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.8	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446718 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-{[4- (triflour...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(cc1)C(F)(F)F)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H15F4NO5/c17-14(12(22)23)9-5-10(15(21,11(9)14)13(24)25)26-6-7-1-3-8(4-2-7)16(18,19)20/h1-4,9-11H,5-6,21H2,(H,22,23)(H,24,25)/t9-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.7	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446828 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(4- methylphe...) Show SMILES Cc1ccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H18FNO5/c1-8-2-4-9(5-3-8)7-23-11-6-10-12(15(10,17)13(19)20)16(11,18)14(21)22/h2-5,10-12H,6-7,18H2,1H3,(H,19,20)(H,21,22)/t10-,11-,12+,15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.6	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136699 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccs1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-13-17-7-6-10-28-17)21(25)24-9-8-15-11-18(26-4)19(27-5)12-16(15)14-24/h6-7,10-12,20,23H,8-9,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446739 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(3- fluorophe...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H15F2NO5/c16-8-3-1-2-7(4-8)6-23-10-5-9-11(14(9,17)12(19)20)15(10,18)13(21)22/h1-4,9-11H,5-6,18H2,(H,19,20)(H,21,22)/t9-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.8	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136711 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccn1C)C(C)(C)C Show InChI InChI=1S/C23H33N3O3/c1-23(2,3)21(24-14-18-8-7-10-25(18)4)22(27)26-11-9-16-12-19(28-5)20(29-6)13-17(16)15-26/h7-8,10,12-13,21,24H,9,11,14-15H2,1-6H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446818 ((1R,2R,3R,5R,6R)-2-amino-3-[(5-chloropyridin-2- yl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)cn1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H14ClFN2O5/c15-6-1-2-7(18-4-6)5-23-9-3-8-10(13(8,16)11(19)20)14(9,17)12(21)22/h1-2,4,8-10H,3,5,17H2,(H,19,20)(H,21,22)/t8-,9-,10+,13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.4	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136714 ((S)-3,5-dichloro-N-(1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446836 ((1S,2R,3R,5R,6S)-2-amino-3-[(3,4- difluorophenyl)m...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(F)c(F)c1)[C@@H]2C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H15F2NO5/c16-8-2-1-6(3-9(8)17)5-23-10-4-7-11(13(19)20)12(7)15(10,18)14(21)22/h1-3,7,10-12H,4-5,18H2,(H,19,20)(H,21,22)/t7-,10+,11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.1	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446784 ((1R,2R,3R,5R,6R)-2-amino-3-[(6-chloropyridin-2- yl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Cl)n1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H14ClFN2O5/c15-9-3-1-2-6(18-9)5-23-8-4-7-10(13(7,16)11(19)20)14(8,17)12(21)22/h1-3,7-8,10H,4-5,17H2,(H,19,20)(H,21,22)/t7-,8-,10+,13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.3	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446857 (US10689327, Compound (II)-15) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@H](C)OC(=O)[C@@]1(N)[C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@@H]2C(O)=O |r| Show InChI InChI=1S/C28H38FNO8/c1-14(2)19-10-5-15(3)11-21(19)38-27(34)37-16(4)36-26(33)28(30)22(12-20-23(24(20)28)25(31)32)35-13-17-6-8-18(29)9-7-17/h6-9,14-16,19-24H,5,10-13,30H2,1-4H3,(H,31,32)/t15-,16-,19+,20+,21-,22-,23+,24+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.7	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136718 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccsc1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-12-15-7-9-28-14-15)21(25)24-8-6-16-10-18(26-4)19(27-5)11-17(16)13-24/h7,9-11,14,20,23H,6,8,12-13H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136720 (CHEMBL343551 | N-[1-Benzyl-2-(6,7-dimethoxy-3,4-di...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446699 (US10689327, Compound (II)-1) Show SMILES OC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)cc3)[C@](NC(=O)OCC=C)([C@H]12)C(O)=O Show InChI InChI=1S/C19H19F2NO7/c1-2-7-28-17(27)22-19(16(25)26)13(8-12-14(19)18(12,21)15(23)24)29-9-10-3-5-11(20)6-4-10/h2-6,12-14H,1,7-9H2,(H,22,27)(H,23,24)(H,25,26)/t12-,13-,14+,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.1	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446699 (US10689327, Compound (II)-1) Show SMILES OC(=O)[C@@]1(F)[C@@H]2C[C@@H](OCc3ccc(F)cc3)[C@](NC(=O)OCC=C)([C@H]12)C(O)=O Show InChI InChI=1S/C19H19F2NO7/c1-2-7-28-17(27)22-19(16(25)26)13(8-12-14(19)18(12,21)15(23)24)29-9-10-3-5-11(20)6-4-10/h2-6,12-14H,1,7-9H2,(H,22,27)(H,23,24)(H,25,26)/t12-,13-,14+,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.4	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446832 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(2-oxo-1,2- d...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cc[nH]c(=O)c1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.3	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136694 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446817 ((1R,2R,3R,5R,6R)-2-amino-3-[(6-chloropyridin-3- yl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)nc1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H14ClFN2O5/c15-9-2-1-6(4-18-9)5-23-8-3-7-10(13(7,16)11(19)20)14(8,17)12(21)22/h1-2,4,7-8,10H,3,5,17H2,(H,19,20)(H,21,22)/t7-,8-,10+,13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446817 ((1R,2R,3R,5R,6R)-2-amino-3-[(6-chloropyridin-3- yl...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)nc1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H14ClFN2O5/c15-9-2-1-6(4-18-9)5-23-8-3-7-10(13(7,16)11(19)20)14(8,17)12(21)22/h1-2,4,7-8,10H,3,5,17H2,(H,19,20)(H,21,22)/t7-,8-,10+,13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.6	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446828 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(4- methylphe...) Show SMILES Cc1ccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)cc1 |r| Show InChI InChI=1S/C16H18FNO5/c1-8-2-4-9(5-3-8)7-23-11-6-10-12(15(10,17)13(19)20)16(11,18)14(21)22/h2-5,10-12H,6-7,18H2,1H3,(H,19,20)(H,21,22)/t10-,11-,12+,15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	54.4	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136693 ((+/-)-2-benzyl-1-(6,7-dimethoxy-3,4-dihydroisoquin...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H31NO3/c1-24(2,3)20(13-17-9-7-6-8-10-17)23(26)25-12-11-18-14-21(27-4)22(28-5)15-19(18)16-25/h6-10,14-15,20H,11-13,16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136701 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1nccs1)C(C)(C)C |r| Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)19(23-12-18-22-7-9-28-18)20(25)24-8-6-14-10-16(26-4)17(27-5)11-15(14)13-24/h7,9-11,19,23H,6,8,12-13H2,1-5H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446857 (US10689327, Compound (II)-15) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@H](C)OC(=O)[C@@]1(N)[C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@@H]2C(O)=O |r| Show InChI InChI=1S/C28H38FNO8/c1-14(2)19-10-5-15(3)11-21(19)38-27(34)37-16(4)36-26(33)28(30)22(12-20-23(24(20)28)25(31)32)35-13-17-6-8-18(29)9-7-17/h6-9,14-16,19-24H,5,10-13,30H2,1-4H3,(H,31,32)/t15-,16-,19+,20+,21-,22-,23+,24+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60.5	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50151462 ((1R,2R,3R,5R,6R)-2-Amino-3-cyclopentyloxy-6-fluoro...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC1CCCC1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C13H18FNO5/c14-12(10(16)17)7-5-8(20-6-3-1-2-4-6)13(15,9(7)12)11(18)19/h6-9H,1-5,15H2,(H,16,17)(H,18,19)/t7-,8-,9+,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	62.2	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136703 ((+/-)-3-bromo-N-(1-(6,7-dimethoxy-3,4-dihydroisoqu...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1 Show InChI InChI=1S/C27H26BrFN2O4/c1-34-24-14-18-10-11-31(16-20(18)15-25(24)35-2)27(33)23(12-17-6-4-3-5-7-17)30-26(32)19-8-9-22(29)21(28)13-19/h3-9,13-15,23H,10-12,16H2,1-2H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446702 (US10689327, Compound (II)-3) Show SMILES CCCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(NC(=O)OCC=C)C(O)=O Show InChI InChI=1S/C15H20FNO7/c1-3-5-23-9-7-8-10(14(8,16)11(18)19)15(9,12(20)21)17-13(22)24-6-4-2/h4,8-10H,2-3,5-7H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t8-,9-,10+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75.1	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446739 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-[(3- fluorophe...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H15F2NO5/c16-8-3-1-2-7(4-8)6-23-10-5-9-11(14(9,17)12(19)20)15(10,18)13(21)22/h1-4,9-11H,5-6,18H2,(H,19,20)(H,21,22)/t9-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75.5	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50151462 ((1R,2R,3R,5R,6R)-2-Amino-3-cyclopentyloxy-6-fluoro...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OC1CCCC1)[C@]2(F)C(O)=O)C(O)=O Show InChI InChI=1S/C13H18FNO5/c14-12(10(16)17)7-5-8(20-6-3-1-2-4-6)13(15,9(7)12)11(18)19/h6-9H,1-5,15H2,(H,16,17)(H,18,19)/t7-,8-,9+,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	97.6	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM446756 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-(3- methylbuto...) Show SMILES CC(C)CCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O |r| Show InChI InChI=1S/C13H20FNO5/c1-6(2)3-4-20-8-5-7-9(12(7,14)10(16)17)13(8,15)11(18)19/h6-9H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)/t7-,8-,9+,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	98.8	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136698 ((S)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446756 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-(3- methylbuto...) Show SMILES CC(C)CCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O |r| Show InChI InChI=1S/C13H20FNO5/c1-6(2)3-4-20-8-5-7-9(12(7,14)10(16)17)13(8,15)11(18)19/h6-9H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)/t7-,8-,9+,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136710 ((S)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136719 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-7-6-9-24-13-16)22(27)26-10-8-17-11-19(28-4)20(29-5)12-18(17)15-26/h6-7,9,11-13,21,25H,8,10,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446718 ((1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-{[4- (triflour...) Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(cc1)C(F)(F)F)[C@]2(F)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C16H15F4NO5/c17-14(12(22)23)9-5-10(15(21,11(9)14)13(24)25)26-6-7-1-3-8(4-2-7)16(18,19)20/h1-4,9-11H,5-6,21H2,(H,22,23)(H,24,25)/t9-,10-,11+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM446702 (US10689327, Compound (II)-3) Show SMILES CCCO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(NC(=O)OCC=C)C(O)=O Show InChI InChI=1S/C15H20FNO7/c1-3-5-23-9-7-8-10(14(8,16)11(18)19)15(9,12(20)21)17-13(22)24-6-4-2/h4,8-10H,2-3,5-7H2,1H3,(H,17,22)(H,18,19)(H,20,21)/t8-,9-,10+,14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	321	n/a	n/a	n/a	n/a	n/a	n/a
TAISHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco's modi...				US Patent US10689327 (2020) BindingDB Entry DOI: 10.7270/Q2FR00NR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136702 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27NO3/c1-29-24-16-21-13-14-27(18-22(21)17-25(24)30-2)26(28)23(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-12,16-17,23H,13-15,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136705 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136708 ((+/-)-2-(benzylamino)-1-(6,7-dimethoxy-3,4-dihydro...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(NCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C24H32N2O3/c1-24(2,3)22(25-15-17-9-7-6-8-10-17)23(27)26-12-11-18-13-20(28-4)21(29-5)14-19(18)16-26/h6-10,13-14,22,25H,11-12,15-16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136699 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1cccs1)C(C)(C)C |r| Show InChI InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-13-17-7-6-10-28-17)21(25)24-9-8-15-11-18(26-4)19(27-5)12-16(15)14-24/h6-7,10-12,20,23H,8-9,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136695 ((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-18-8-6-7-10-24-18)22(27)26-11-9-16-12-19(28-4)20(29-5)13-17(16)15-26/h6-8,10,12-13,21,25H,9,11,14-15H2,1-5H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136704 ((+/-)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C23H30N2O3/c1-23(2,3)21(24-18-9-7-6-8-10-18)22(26)25-12-11-16-13-19(27-4)20(28-5)14-17(16)15-25/h6-10,13-14,21,24H,11-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136714 ((S)-3,5-dichloro-N-(1-(6,7-dimethoxy-3,4-dihydrois...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H26Cl2N2O4/c1-34-24-13-18-8-9-31(16-20(18)14-25(24)35-2)27(33)23(10-17-6-4-3-5-7-17)30-26(32)19-11-21(28)15-22(29)12-19/h3-7,11-15,23H,8-10,16H2,1-2H3,(H,30,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair

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