Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'hamaguchi' and Initial = 'w'   

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 5A (Homo sapiens (Human))	BDBM148155 (US8962612, 26) Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)| Show InChI InChI=1S/C17H14F4N4O/c18-8-5-13(20)15(14(21)6-8)10-1-2-12(19)9-3-4-25(7-11(9)10)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	0.680	-54.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148163 (US8962612, 66) Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cccc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-2,-2.31,;-.67,-3.08,;-1.44,-4.41,;.1,-4.41,;.67,-2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)| Show InChI InChI=1S/C19H17F3N4O/c20-12-2-1-3-13(21)15(12)10-4-5-14(22)16-11(10)8-26(9-19(16)6-7-19)18(27)25-17(23)24/h1-5H,6-9H2,(H4,23,24,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.75	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148169 (US8962612, 80) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-c1ccc(F)cc1F Show InChI InChI=1S/C19H17F3N4O/c20-10-1-2-12(15(22)7-10)11-3-4-14(21)16-13(11)8-26(9-19(16)5-6-19)18(27)25-17(23)24/h1-4,7H,5-6,8-9H2,(H4,23,24,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.850	-53.9	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148165 (US8962612, 74) Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-2,-3.08,;-.67,-3.85,;-1.44,-5.18,;.1,-5.18,;.67,-3.08,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)| Show InChI InChI=1S/C19H16F4N4O/c20-9-5-13(22)15(14(23)6-9)10-1-2-12(21)16-11(10)7-27(8-19(16)3-4-19)18(28)26-17(24)25/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.880	-53.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148171 (US8962612, 86) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-c1ccccc1F Show InChI InChI=1S/C19H18F2N4O/c20-14-4-2-1-3-12(14)11-5-6-15(21)16-13(11)9-25(10-19(16)7-8-19)18(26)24-17(22)23/h1-6H,7-10H2,(H4,22,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.950	-53.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148154 (US8962612, 23) Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-2,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)| Show InChI InChI=1S/C17H14ClF3N4O/c18-12-2-1-10(15-13(20)5-8(19)6-14(15)21)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148156 (US8962612, 28) Show SMILES NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cccc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-.67,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)| Show InChI InChI=1S/C17H15F3N4O/c18-12-5-4-10(15-13(19)2-1-3-14(15)20)11-8-24(7-6-9(11)12)17(25)23-16(21)22/h1-5H,6-8H2,(H4,21,22,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	-53.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135790 (US8853242, 162) Show SMILES NC(N)=NC(=O)c1ccc2c(Cl)cnc(-c3c(F)cccc3F)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;-2,-.77,;-.67,,)| Show InChI InChI=1S/C17H11ClF2N4O/c18-11-7-23-15(14-12(19)2-1-3-13(14)20)10-6-8(4-5-9(10)11)16(25)24-17(21)22/h1-7H,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	-50.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135780 (US8853242, 60) Show SMILES NC(N)=NC(=O)c1ccc2ncc(Cl)c(-c3ccc(F)cc3F)c2c1 |(5.77,2.67,;4.23,2.67,;3.46,4,;3.46,1.33,;1.92,1.33,;1.15,2.67,;1.15,,;1.92,-1.33,;1.15,-2.67,;-.39,-2.67,;-1.15,-4,;-2.69,-4,;-3.46,-2.67,;-5,-2.67,;-2.69,-1.33,;-3.46,,;-2.7,1.33,;-3.46,2.67,;-5,2.67,;-5.77,4,;-5.77,1.33,;-5,,;-5.77,-1.33,;-1.15,-1.33,;-.39,,)| Show InChI InChI=1S/C17H11ClF2N4O/c18-12-7-23-14-4-1-8(16(25)24-17(21)22)5-11(14)15(12)10-3-2-9(19)6-13(10)20/h1-7H,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148167 (US8962612, 78) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-c1cc(F)c(F)cc1F Show InChI InChI=1S/C19H16F4N4O/c20-12-2-1-9(10-5-14(22)15(23)6-13(10)21)11-7-27(18(28)26-17(24)25)8-19(3-4-19)16(11)12/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-52.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135785 (US8853242, 152) Show SMILES Cc1cnc(-c2c(F)cc(F)cc2F)c2cc(ccc12)C(=O)N=C(N)N |(-.38,-4.67,;-1.15,-3.33,;-2.69,-3.33,;-3.46,-2,;-2.69,-.67,;-3.47,.67,;-5,.67,;-5.78,-.67,;-5.78,2,;-5,3.33,;-5.78,4.67,;-3.47,3.33,;-2.69,2,;-1.15,2,;-1.15,-.67,;-.38,.67,;1.15,.67,;1.93,-.67,;1.15,-2,;-.38,-2,;1.93,2,;1.15,3.33,;3.47,2,;4.23,3.33,;5.78,3.33,;3.47,4.67,)| Show InChI InChI=1S/C18H13F3N4O/c1-8-7-24-16(15-13(20)5-10(19)6-14(15)21)12-4-9(2-3-11(8)12)17(26)25-18(22)23/h2-7H,1H3,(H4,22,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135783 (US8853242, 148) Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3F)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;-2,-.77,;-.67,,)| Show InChI InChI=1S/C17H11F3N4O/c18-11-2-1-3-12(19)14(11)15-10-6-8(16(25)24-17(21)22)4-5-9(10)13(20)7-23-15/h1-7H,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.40	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135782 (US8853242, 147) Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cccc3Cl)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-4.67,2.31,;-6,1.54,;-2,-.77,;-.67,,)| Show InChI InChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(19)14(11)15-10-6-8(16(25)24-17(21)22)4-5-9(10)13(20)7-23-15/h1-7H,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-50.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148164 (US8962612, 69) Show SMILES CC1CN(Cc2c(ccc(F)c12)-c1c(F)cccc1F)C(=O)N=C(N)N |(-.67,-4.62,;-.67,-3.08,;.67,-2.31,;.67,-.77,;-.67,,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-2,-2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;2,,;2,1.54,;3.33,-.77,;4.67,,;6,-.77,;4.67,1.54,)| Show InChI InChI=1S/C18H17F3N4O/c1-9-7-25(18(26)24-17(22)23)8-11-10(5-6-14(21)15(9)11)16-12(19)3-2-4-13(16)20/h2-6,9H,7-8H2,1H3,(H4,22,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135795 (US8853242, 192) Show SMILES [#6]-c1cnc(-c2ccccc2F)c2cc(ccc12)-[#6](=O)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H15FN4O/c1-10-9-22-16(13-4-2-3-5-15(13)19)14-8-11(6-7-12(10)14)17(24)23-18(20)21/h2-9H,1H3,(H4,20,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.80	-49.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135792 (US8853242, 170) Show SMILES Cc1cnc(-c2c(F)cccc2F)c2cc(ccc12)C(=O)N=C(N)N |(-3.33,-4.62,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,;-2,-.77,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;2,,;2,1.54,;3.33,-.77,;4.67,,;6,-.77,;4.67,1.54,)| Show InChI InChI=1S/C18H14F2N4O/c1-9-8-23-16(15-13(19)3-2-4-14(15)20)12-7-10(5-6-11(9)12)17(25)24-18(21)22/h2-8H,1H3,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	-49.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148162 (US8962612, 62) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1ncc(Cl)cc1Cl Show InChI InChI=1S/C16H14Cl2FN5O/c17-8-5-12(18)14(22-6-8)10-1-2-13(19)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	-51.8	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135796 (US8853242, 211) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(Cl)cnc(-c3ccc(F)cc3F)c2c1 Show InChI InChI=1S/C17H11ClF2N4O/c18-13-7-23-15(11-4-2-9(19)6-14(11)20)12-5-8(1-3-10(12)13)16(25)24-17(21)22/h1-7H,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.30	-49.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148161 (US8962612, 61) Show SMILES NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cncc1F |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-2,-.77,;-.67,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-4.67,3.85,;-3.33,4.62,;-2,3.85,;-2,2.31,;-.67,1.54,)| Show InChI InChI=1S/C16H14ClF2N5O/c17-11-2-1-9(14-12(18)5-22-6-13(14)19)10-7-24(4-3-8(10)11)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148166 (US8962612, 76) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-c2c(ccc(F)c2C2([#6]-[#6]2)[#6]-1)-[#6]-1-[#6]-[#6]-1 Show InChI InChI=1S/C16H19FN4O/c17-12-4-3-10(9-1-2-9)11-7-21(15(22)20-14(18)19)8-16(5-6-16)13(11)12/h3-4,9H,1-2,5-8H2,(H4,18,19,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148157 (US8962612, 44) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(c2-[#6]-1)-c1ccc(F)cc1F Show InChI InChI=1S/C17H15ClF2N4O/c18-14-4-3-10(12-2-1-9(19)7-15(12)20)13-8-24(6-5-11(13)14)17(25)23-16(21)22/h1-4,7H,5-6,8H2,(H4,21,22,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.70	-50.9	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135788 (US8853242, 160) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ccccc3F)c2c1 Show InChI InChI=1S/C17H12F2N4O/c18-13-4-2-1-3-11(13)15-12-7-9(16(24)23-17(20)21)5-6-10(12)14(19)8-22-15/h1-8H,(H4,20,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135789 (US8853242, 161) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ccccc3Cl)c2c1 Show InChI InChI=1S/C17H12ClFN4O/c18-13-4-2-1-3-11(13)15-12-7-9(16(24)23-17(20)21)5-6-10(12)14(19)8-22-15/h1-8H,(H4,20,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148153 (US8962612, 8) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2cccc(c2-[#6]-1)-c1cc(F)c(F)cc1F Show InChI InChI=1S/C17H15F3N4O/c18-13-7-15(20)14(19)6-11(13)10-3-1-2-9-4-5-24(8-12(9)10)17(25)23-16(21)22/h1-3,6-7H,4-5,8H2,(H4,21,22,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.60	-50.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148168 (US8962612, 79) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1cc(F)c(F)cc1F Show InChI InChI=1S/C17H14F4N4O/c18-12-2-1-8(10-5-14(20)15(21)6-13(10)19)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.70	-50.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135781 (US8853242, 114) Show SMILES Cc1nc2ccc(cc2c(c1C)-c1c(F)cc(F)cc1F)C(=O)N=C(N)N |(-6,-4.62,;-4.67,-3.85,;-3.33,-4.62,;-2,-3.85,;-.67,-4.62,;.67,-3.85,;.67,-2.31,;-.67,-1.54,;-2,-2.31,;-3.33,-1.54,;-4.67,-2.31,;-6,-1.54,;-3.33,,;-4.67,.77,;-6,,;-4.67,2.31,;-3.33,3.08,;-3.33,4.62,;-2,2.31,;-2,.77,;-.67,,;2,-1.54,;2,,;3.33,-2.31,;4.67,-1.54,;6,-2.31,;4.67,,)| Show InChI InChI=1S/C19H15F3N4O/c1-8-9(2)25-15-4-3-10(18(27)26-19(23)24)5-12(15)16(8)17-13(21)6-11(20)7-14(17)22/h3-7H,1-2H3,(H4,23,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148160 (US8962612, 60) Show SMILES [#6]-c1ccc(c2-[#6]-[#7](-[#6]-[#6]-c12)-[#6](=O)\[#7]=[#6](\[#7])-[#7])-c1ncc(F)cc1F Show InChI InChI=1S/C17H17F2N5O/c1-9-2-3-12(15-14(19)6-10(18)7-22-15)13-8-24(5-4-11(9)13)17(25)23-16(20)21/h2-3,6-7H,4-5,8H2,1H3,(H4,20,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135784 (US8853242, 151) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ccc(F)cc3Cl)c2c1 Show InChI InChI=1S/C17H11ClF2N4O/c18-13-6-9(19)2-4-11(13)15-12-5-8(16(25)24-17(21)22)1-3-10(12)14(20)7-23-15/h1-7H,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148170 (US8962612, 81) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2cccc(c2-[#6]-1)-c1ncc(F)cc1F Show InChI InChI=1S/C16H15F2N5O/c17-10-6-13(18)14(21-7-10)11-3-1-2-9-4-5-23(8-12(9)11)16(24)22-15(19)20/h1-3,6-7H,4-5,8H2,(H4,19,20,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148152 (US8962612, 4) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1ncc(Cl)cc1F Show InChI InChI=1S/C16H14ClF2N5O/c17-8-5-13(19)14(22-6-8)10-1-2-12(18)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.30	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135794 (US8853242, 187) Show SMILES NC(N)=NC(=O)c1ccc2c(cnc(-c3c(F)cccc3F)c2c1)C(F)F |(6,-.38,;4.67,.39,;4.67,1.93,;3.33,-.39,;2,.39,;2,1.93,;.67,-.38,;.67,-1.93,;-.67,-2.7,;-2,-1.93,;-3.33,-2.7,;-4.67,-1.93,;-4.67,-.39,;-3.33,.38,;-3.33,1.93,;-4.67,2.7,;-6,1.92,;-4.67,4.23,;-3.33,5,;-2,4.24,;-2,2.69,;-.67,1.92,;-2,-.39,;-.67,.39,;-3.33,-4.24,;-2,-5.01,;-4.67,-5.01,)| Show InChI InChI=1S/C18H12F4N4O/c19-12-2-1-3-13(20)14(12)15-10-6-8(17(27)26-18(23)24)4-5-9(10)11(7-25-15)16(21)22/h1-7,16H,(H4,23,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	-47.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135791 (US8853242, 164) Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3Cl)c2c1 |(6,-.77,;4.67,,;4.67,1.54,;3.33,-.77,;2,,;2,1.54,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-2,-2.31,;-3.33,-3.08,;-3.33,-4.62,;-4.67,-2.31,;-4.67,-.77,;-3.33,,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-2,3.85,;-3.33,4.62,;-4.67,3.85,;-4.67,2.31,;-6,1.54,;-2,-.77,;-.67,,)| Show InChI InChI=1S/C16H10ClF2N5O/c17-10-4-22-5-12(19)13(10)14-9-3-7(15(25)24-16(20)21)1-2-8(9)11(18)6-23-14/h1-6H,(H4,20,21,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.70	-47.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135786 (US8853242, 157) Show SMILES NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3F)c2c1 |(5.78,3.33,;4.23,3.33,;3.47,4.67,;3.47,2,;1.92,2,;1.15,3.33,;1.15,.67,;1.93,-.67,;1.15,-2,;-.38,-2,;-1.15,-3.33,;-.38,-4.67,;-2.69,-3.33,;-3.47,-2,;-2.69,-.67,;-3.47,.67,;-2.69,2,;-1.15,2,;-3.47,3.33,;-5,3.33,;-5.78,2,;-5.01,.67,;-5.78,-.67,;-1.15,-.67,;-.38,.67,)| Show InChI InChI=1S/C16H10F3N5O/c17-10-6-23-14(13-11(18)4-22-5-12(13)19)9-3-7(1-2-8(9)10)15(25)24-16(20)21/h1-6H,(H4,20,21,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	5.30	-47.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135793 (US8853242, 171) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-c1ccc2c(F)cnc(-c3ncc(F)cc3Cl)c2c1 Show InChI InChI=1S/C16H10ClF2N5O/c17-11-4-8(18)5-22-14(11)13-10-3-7(15(25)24-16(20)21)1-2-9(10)12(19)6-23-13/h1-6H,(H4,20,21,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.20	-46.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148159 (US8962612, 49) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6](F)-c2c(Cl)ccc(c2-[#6]-1)-c1ccc(F)cc1F Show InChI InChI=1S/C17H14ClF3N4O/c18-12-4-3-9(10-2-1-8(19)5-13(10)20)11-6-25(7-14(21)15(11)12)17(26)24-16(22)23/h1-5,14H,6-7H2,(H4,22,23,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.60	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM148158 (US8962612, 46) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](=O)-[#7]-1-[#6]-[#6]-c2c(F)ccc(c2-[#6]-1)-c1ncc(F)cc1F Show InChI InChI=1S/C16H14F3N5O/c17-8-5-13(19)14(22-6-8)10-1-2-12(18)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.90	-48.5	n/a	n/a	n/a	n/a	n/a	7.4	37
Astellas Pharma Inc. US Patent					Assay Description A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...				US Patent US8962612 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SQP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135787 (US8853242, 159) Show SMILES COc1cccc(F)c1-c1ncc(F)c2ccc(cc12)C(=O)N=C(N)N |(-5.08,-2.13,;-5.85,-.8,;-5.08,.53,;-5.78,2,;-5,3.33,;-3.47,3.33,;-2.69,2,;-1.15,2,;-3.47,.67,;-2.69,-.67,;-3.47,-2,;-2.69,-3.33,;-1.15,-3.33,;-.38,-4.67,;-.38,-2,;1.15,-2,;1.92,-.67,;1.15,.67,;-.38,.67,;-1.15,-.67,;1.92,2,;1.15,3.33,;3.47,2,;4.23,3.33,;5.78,3.33,;3.47,4.67,)| Show InChI InChI=1S/C18H14F2N4O2/c1-26-14-4-2-3-12(19)15(14)16-11-7-9(17(25)24-18(21)22)5-6-10(11)13(20)8-23-16/h2-8H,1H3,(H4,21,22,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.10	-46.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM135779 (US8853242, 6) Show SMILES Cc1cc(-c2c(F)cc(F)cc2F)c2cc(ccc2n1)C(=O)N=C(N)N |(-3.47,-4.67,;-2.7,-3.33,;-3.47,-2,;-2.69,-.67,;-3.46,.67,;-5,.67,;-5.77,-.67,;-5.77,2,;-5,3.33,;-5.77,4.67,;-3.46,3.33,;-2.7,2,;-1.16,2,;-1.15,-.67,;-.39,.67,;1.15,.67,;1.92,-.67,;1.15,-2,;-.39,-2,;-1.16,-3.33,;1.92,2,;1.15,3.33,;3.46,2,;4.23,3.33,;5.77,3.33,;3.46,4.67,)| Show InChI InChI=1S/C18H13F3N4O/c1-8-4-12(16-13(20)6-10(19)7-14(16)21)11-5-9(2-3-15(11)24-8)17(26)25-18(22)23/h2-7H,1H3,(H4,22,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50520336 (CHEMBL4470042) Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ccccc5c4n3)nc2n1 Show InChI InChI=1S/C19H17N7O/c1-11-9-12(2)25-19(20-11)22-16(24-25)8-7-13-10-17(27)26-18(21-13)14-5-3-4-6-15(14)23-26/h3-6,9-10,27H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...				Bioorg Med Chem 27: 3692-3706 (2019) Article DOI: 10.1016/j.bmc.2019.07.010 BindingDB Entry DOI: 10.7270/Q2MK6H9K
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50521882 (CHEMBL4469155) Show SMILES Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1 Show InChI InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...				Bioorg Med Chem 27: 3692-3706 (2019) Article DOI: 10.1016/j.bmc.2019.07.010 BindingDB Entry DOI: 10.7270/Q2MK6H9K
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50521887 (CHEMBL4459939) Show SMILES C[C@H]1Cn2c(nc3ccccc23)N1C(=O)Cc1nc2c(C)ncc(C)n2n1 |r| Show InChI InChI=1S/C19H19N7O/c1-11-9-20-13(3)18-22-16(23-26(11)18)8-17(27)25-12(2)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-7,9,12H,8,10H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...				Bioorg Med Chem 27: 3692-3706 (2019) Article DOI: 10.1016/j.bmc.2019.07.010 BindingDB Entry DOI: 10.7270/Q2MK6H9K
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50149871 ((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O |r| Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50243945 (2-(1,4'-Bipiperidine-1'-yl)-N-cycloheptyl-6,7-dime...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50265669 ((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...) Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50244380 (CHEMBL487635 | N-Cycloheptyl-6,7-dimethoxy-2-(4-py...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C26H39N5O2/c1-32-23-17-21-22(18-24(23)33-2)28-26(29-25(21)27-19-9-5-3-4-6-10-19)31-15-11-20(12-16-31)30-13-7-8-14-30/h17-20H,3-16H2,1-2H3,(H,27,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Mus musculus)	BDBM50265742 (CHEMBL521737 | {1'-[4-(Cycloheptylamino)-6,7-dimet...) Show SMILES COc1cc2nc(nc(NC3CCCCCC3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 Show InChI InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50102692 (4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...) Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50265669 ((1'-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinaz...) Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1 Show InChI InChI=1S/C27H34ClN5O3/c1-35-24-14-22-23(15-25(24)36-2)30-27(31-26(22)29-20-7-5-19(28)6-8-20)32-12-9-21(10-13-32)33-11-3-4-18(16-33)17-34/h5-8,14-15,18,21,34H,3-4,9-13,16-17H2,1-2H3,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50245036 (CHEMBL486840 | N-(4-Chlorophenyl)-6,7-dimethoxy-2-...) Show SMILES COc1cc2nc(nc(Nc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C25H30ClN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-17(26)6-8-18)31-13-9-19(10-14-31)30-11-3-4-12-30/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,27,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis				Bioorg Med Chem 17: 64-73 (2008) Article DOI: 10.1016/j.bmc.2008.11.020 BindingDB Entry DOI: 10.7270/Q21836BS
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50521879 (CHEMBL4559232) Show SMILES C[C@H]1Cn2c(nc3ccccc23)N1C(=O)Cc1nc2nc(C)cc(C)n2n1 |r| Show InChI InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detecti...				Bioorg Med Chem 27: 3692-3706 (2019) Article DOI: 10.1016/j.bmc.2019.07.010 BindingDB Entry DOI: 10.7270/Q2MK6H9K
					More data for this Ligand-Target Pair

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