Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'yamauchi' and Initial = 'y'   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Binding affinity to human 5HT3 receptor				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330444 (3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-y...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.40	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of 8-hydroxy-[3H]DPAT from human recombinant 5HT1A receptor				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330445 (7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...) Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21 Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330446 (3-Amino-5,6-dimethyl-2-[3-(4-pyridin-2-ylpiperazin...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C Show InChI InChI=1S/C20H26N6OS2/c1-14-15(2)29-18-17(14)19(27)26(21)20(23-18)28-13-5-8-24-9-11-25(12-10-24)16-6-3-4-7-22-16/h3-4,6-7H,5,8-13,21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330447 (3-Amino-5,6-dimethyl-2-[3-[4-(4-methylquinolin-2-y...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C Show InChI InChI=1S/C25H30N6OS2/c1-16-15-21(27-20-8-5-4-7-19(16)20)30-12-10-29(11-13-30)9-6-14-33-25-28-23-22(24(32)31(25)26)17(2)18(3)34-23/h4-5,7-8,15H,6,9-14,26H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330448 (3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O Show InChI InChI=1S/C25H29N7OS2/c26-32-24(33)22-18-8-9-27-16-20(18)35-23(22)29-25(32)34-15-3-10-30-11-13-31(14-12-30)21-7-6-17-4-1-2-5-19(17)28-21/h1-2,4-7,27H,3,8-16,26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330440 (3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C24H30N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,25H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330449 (3-Amino-5,6-dimethyl-2-[3-[4-(5,6,7,8-tetrahydroqu...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C Show InChI InChI=1S/C24H32N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h8-9H,3-7,10-15,25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330450 (2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...) Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12 Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330451 (5-Amino-2-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl...) Show SMILES Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C26H34N6O/c27-32-25(29-23-11-6-4-9-21(23)26(32)33)12-2-1-7-15-30-16-18-31(19-17-30)24-14-13-20-8-3-5-10-22(20)28-24/h3,5,8,10,13-14H,1-2,4,6-7,9,11-12,15-19,27H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50426906 (CHEMBL2323692) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)CO)cc1 |r| Show InChI InChI=1S/C27H41N3O8/c1-15(2)21-18(25(30-29-21)38-26-24(36)23(35)22(34)19(13-31)37-26)12-17-10-8-16(9-11-17)6-5-7-20(33)28-27(3,4)14-32/h8-11,15,19,22-24,26,31-32,34-36H,5-7,12-14H2,1-4H3,(H,28,33)(H,29,30)/t19-,22-,23+,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330441 (3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.93	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human recombinant 5HT3 receptor				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50426894 (CHEMBL2323684) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1 |r| Show InChI InChI=1S/C32H49N5O8/c1-19(2)25-22(29(35-34-25)45-30-28(42)27(41)26(40)23(18-38)44-30)17-21-11-9-20(10-12-21)7-6-8-24(39)33-32(3,4)31(43)37-15-13-36(5)14-16-37/h9-12,19,23,26-28,30,38,40-42H,6-8,13-18H2,1-5H3,(H,33,39)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50426887 (CHEMBL2323695) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1C |r| Show InChI InChI=1S/C32H49N5O8/c1-18(2)25-22(29(36-35-25)45-30-28(42)27(41)26(40)23(17-38)44-30)16-21-10-9-20(15-19(21)3)7-6-8-24(39)34-32(4,5)31(43)37-13-11-33-12-14-37/h9-10,15,18,23,26-28,30,33,38,40-42H,6-8,11-14,16-17H2,1-5H3,(H,34,39)(H,35,36)/t23-,26-,27+,28-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50426906 (CHEMBL2323692) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)CO)cc1 |r| Show InChI InChI=1S/C27H41N3O8/c1-15(2)21-18(25(30-29-21)38-26-24(36)23(35)22(34)19(13-31)37-26)12-17-10-8-16(9-11-17)6-5-7-20(33)28-27(3,4)14-32/h8-11,15,19,22-24,26,31-32,34-36H,5-7,12-14H2,1-4H3,(H,28,33)(H,29,30)/t19-,22-,23+,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330452 (3-Amino-5-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...) Show SMILES Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12 Show InChI InChI=1S/C26H30N6O/c1-19-7-6-10-22-25(19)26(33)32(27)24(29-22)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-9-21(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					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
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50426895 (CHEMBL2323683) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1 |r| Show InChI InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330454 (3-Amino-8-methyl-2-[4-(4-quinolin-2-ylpiperazin-1-...) Show SMILES Cc1cccc2c1nc(CCCCN1CCN(CC1)c1ccc3ccccc3n1)n(N)c2=O Show InChI InChI=1S/C26H30N6O/c1-19-7-6-9-21-25(19)29-24(32(27)26(21)33)11-4-5-14-30-15-17-31(18-16-30)23-13-12-20-8-2-3-10-22(20)28-23/h2-3,6-10,12-13H,4-5,11,14-18,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330455 (3-Amino-7-chloro-2-[4-(4-quinolin-2-ylpiperazin-1-...) Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O Show InChI InChI=1S/C25H27ClN6O/c26-19-9-10-20-22(17-19)29-24(32(27)25(20)33)7-3-4-12-30-13-15-31(16-14-30)23-11-8-18-5-1-2-6-21(18)28-23/h1-2,5-6,8-11,17H,3-4,7,12-16,27H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50426894 (CHEMBL2323684) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1 |r| Show InChI InChI=1S/C32H49N5O8/c1-19(2)25-22(29(35-34-25)45-30-28(42)27(41)26(40)23(18-38)44-30)17-21-11-9-20(10-12-21)7-6-8-24(39)33-32(3,4)31(43)37-15-13-36(5)14-16-37/h9-12,19,23,26-28,30,38,40-42H,6-8,13-18H2,1-5H3,(H,33,39)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					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
Sodium/glucose cotransporter 2 (Homo sapiens (Human))	BDBM50426895 (CHEMBL2323683) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1 |r| Show InChI InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Rattus norvegicus)	BDBM50426887 (CHEMBL2323695) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)cc1C |r| Show InChI InChI=1S/C32H49N5O8/c1-18(2)25-22(29(36-35-25)45-30-28(42)27(41)26(40)23(17-38)44-30)16-21-10-9-20(15-19(21)3)7-6-8-24(39)34-32(4,5)31(43)37-13-11-33-12-14-37/h9-10,15,18,23,26-28,30,33,38,40-42H,6-8,11-14,16-17H2,1-5H3,(H,34,39)(H,35,36)/t23-,26-,27+,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of rat SGLT1				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330456 (7-Acetyl-3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-...) Show SMILES CC(=O)N1CCc2c(C1)sc1nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21 Show InChI InChI=1S/C28H33N7O2S/c1-19(36)34-13-11-21-23(18-34)38-27-26(21)28(37)35(29)25(31-27)8-4-5-12-32-14-16-33(17-15-32)24-10-9-20-6-2-3-7-22(20)30-24/h2-3,6-7,9-10H,4-5,8,11-18,29H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.1	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50426889 (CHEMBL2323409) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc1 |r| Show InChI InChI=1S/C31H49N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-12-10-19(11-13-20)8-7-9-23(38)33-31(3,4)30(42)32-14-15-36(5)6/h10-13,18,22,25-27,29,37,39-41H,7-9,14-17H2,1-6H3,(H,32,42)(H,33,38)(H,34,35)/t22-,25-,26+,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330457 (3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O Show InChI InChI=1S/C24H26N6OS/c25-30-23(31)19-7-2-4-9-21(19)27-24(30)32-17-5-12-28-13-15-29(16-14-28)22-11-10-18-6-1-3-8-20(18)26-22/h1-4,6-11H,5,12-17,25H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330450 (2-[4-(4-Quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8...) Show SMILES O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12 Show InChI InChI=1S/C25H31N5O/c31-25-20-8-2-4-10-22(20)26-23(28-25)11-5-6-14-29-15-17-30(18-16-29)24-13-12-19-7-1-3-9-21(19)27-24/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18H2,(H,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.6	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					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
Sodium/glucose cotransporter 1 (Homo sapiens (Human))	BDBM50426893 (CHEMBL2323405) Show SMILES CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(=O)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C32H48N4O8/c1-19(2)25-22(29(35-34-25)44-30-28(41)27(40)26(39)23(18-37)43-30)17-21-13-11-20(12-14-21)9-8-10-24(38)33-32(3,4)31(42)36-15-6-5-7-16-36/h11-14,19,23,26-28,30,37,39-41H,5-10,15-18H2,1-4H3,(H,33,38)(H,34,35)/t23-,26-,27+,28-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake				Bioorg Med Chem 21: 748-65 (2013) Article DOI: 10.1016/j.bmc.2012.11.041 BindingDB Entry DOI: 10.7270/Q2445NS9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330458 (3-Amino-5,6-dimethyl-2-[4-(4-quinolin-2-ylpiperazi...) Show SMILES Cc1sc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C Show InChI InChI=1S/C25H30N6OS/c1-17-18(2)33-24-23(17)25(32)31(26)22(28-24)9-5-6-12-29-13-15-30(16-14-29)21-11-10-19-7-3-4-8-20(19)27-21/h3-4,7-8,10-11H,5-6,9,12-16,26H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.7	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					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
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
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
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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330460 (3-Amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazi...) Show SMILES Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C Show InChI InChI=1S/C24H28N6OS2/c1-16-17(2)33-22-21(16)23(31)30(25)24(27-22)32-15-5-10-28-11-13-29(14-12-28)20-9-8-18-6-3-4-7-19(18)26-20/h3-4,6-9H,5,10-15,25H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.4	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					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

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