Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 6515   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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