Compile Data Set for Download or QSAR

Found 4158 hits with Last Name = 'zhong' 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 6 (Homo sapiens (Human))	BDBM394084 (US9974785, Example 3) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C19H18ClF2N3O2S/c20-14-4-1-2-7-17(14)28(26,27)25-12-13(19(21)22)18-15(5-3-6-16(18)25)24-10-8-23-9-11-24/h1-7,12,19,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394083 (US9974785, Example 2) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H18F3N3O2S/c20-14-4-1-2-7-17(14)28(26,27)25-12-13(19(21)22)18-15(5-3-6-16(18)25)24-10-8-23-9-11-24/h1-7,12,19,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394090 (US9974785, Example 10) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H21F2N3O2S/c24-23(25)19-15-28(21-7-3-6-20(22(19)21)27-12-10-26-11-13-27)31(29,30)18-9-8-16-4-1-2-5-17(16)14-18/h1-9,14-15,23,26H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394086 (US9974785, Example 5) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H18F3N3O2S/c20-13-3-1-4-14(11-13)28(26,27)25-12-15(19(21)22)18-16(5-2-6-17(18)25)24-9-7-23-8-10-24/h1-6,11-12,19,23H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394104 (US9974785, Example 25) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C19H17Cl2F2N3O2S/c20-12-9-15(25-7-5-24-6-8-25)18-13(19(22)23)11-26(16(18)10-12)29(27,28)17-4-2-1-3-14(17)21/h1-4,9-11,19,24H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394087 (US9974785, Example 6) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H18ClF2N3O2S/c20-13-3-1-4-14(11-13)28(26,27)25-12-15(19(21)22)18-16(5-2-6-17(18)25)24-9-7-23-8-10-24/h1-6,11-12,19,23H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394112 (US9974785, Example 42) Show SMILES CN1CCN(CC1)c1cccc2n(cc(C(F)F)c12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C20H20F3N3O2S/c1-24-8-10-25(11-9-24)17-6-3-7-18-19(17)16(20(22)23)13-26(18)29(27,28)15-5-2-4-14(21)12-15/h2-7,12-13,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394085 (US9974785, Example 4) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C19H18BrF2N3O2S/c20-14-4-1-2-7-17(14)28(26,27)25-12-13(19(21)22)18-15(5-3-6-16(18)25)24-10-8-23-9-11-24/h1-7,12,19,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394105 (US9974785, Example 26) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C19H17BrClF2N3O2S/c20-14-3-1-2-4-17(14)29(27,28)26-11-13(19(22)23)18-15(9-12(21)10-16(18)26)25-7-5-24-6-8-25/h1-4,9-11,19,24H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394108 (US9974785, Example 29) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C19H17BrClF2N3O2S/c20-12-2-1-3-14(8-12)29(27,28)26-11-15(19(22)23)18-16(9-13(21)10-17(18)26)25-6-4-24-5-7-25/h1-3,8-11,19,24H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394107 (US9974785, Example 28) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H17Cl2F2N3O2S/c20-12-2-1-3-14(8-12)29(27,28)26-11-15(19(22)23)18-16(9-13(21)10-17(18)26)25-6-4-24-5-7-25/h1-3,8-11,19,24H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394111 (US9974785, Example 37) Show SMILES FC(F)c1cn(c2cc(Br)cc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C19H17Br2F2N3O2S/c20-12-2-1-3-14(8-12)29(27,28)26-11-15(19(22)23)18-16(9-13(21)10-17(18)26)25-6-4-24-5-7-25/h1-3,8-11,19,24H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394082 (US9974785, Example 1) Show SMILES FC(F)c1cn(c2cccc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H19F2N3O2S/c20-19(21)15-13-24(27(25,26)14-5-2-1-3-6-14)17-8-4-7-16(18(15)17)23-11-9-22-10-12-23/h1-8,13,19,22H,9-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394103 (US9974785, Example 24) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H17ClF3N3O2S/c20-12-9-15(25-7-5-24-6-8-25)18-13(19(22)23)11-26(16(18)10-12)29(27,28)17-4-2-1-3-14(17)21/h1-4,9-11,19,24H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394110 (US9974785, Example 36) Show SMILES FC(F)c1cn(c2cc(Br)cc(N3CCNCC3)c12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H17BrClF2N3O2S/c20-12-8-16(25-6-4-24-5-7-25)18-15(19(22)23)11-26(17(18)9-12)29(27,28)14-3-1-2-13(21)10-14/h1-3,8-11,19,24H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513547 (CHEMBL4471366) Show SMILES Nc1nc(N\N=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C31H31N7O6/c32-28-25-29(38(18-33-25)30-27(41)26(40)24(15-39)44-30)36-31(35-28)37-34-14-21-11-12-22(42-16-19-7-3-1-4-8-19)23(13-21)43-17-20-9-5-2-6-10-20/h1-14,18,24,26-27,30,39-41H,15-17H2,(H3,32,35,36,37)/b34-14+/t24-,26-,27-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394109 (US9974785, Example 35) Show SMILES FC(F)c1cn(c2cc(Br)cc(N3CCNCC3)c12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H17BrF3N3O2S/c20-12-8-16(25-6-4-24-5-7-25)18-15(19(22)23)11-26(17(18)9-12)29(27,28)14-3-1-2-13(21)10-14/h1-3,8-11,19,24H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394106 (US9974785, Example 27) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H17ClF3N3O2S/c20-12-8-16(25-6-4-24-5-7-25)18-15(19(22)23)11-26(17(18)9-12)29(27,28)14-3-1-2-13(21)10-14/h1-3,8-11,19,24H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513531 (CHEMBL4435740) Show SMILES CCCCC\C=C\C=C\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C20H29N7O4/c1-2-3-4-5-6-7-8-9-10-23-26-20-24-17(21)14-18(25-20)27(12-22-14)19-16(30)15(29)13(11-28)31-19/h6-10,12-13,15-16,19,28-30H,2-5,11H2,1H3,(H3,21,24,25,26)/b7-6+,9-8+,23-10+/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394113 (US9974785, Example 43) Show SMILES CCN1CCN(CC1)c1cccc2n(cc(C(F)F)c12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C21H22F3N3O2S/c1-2-25-9-11-26(12-10-25)18-7-4-8-19-20(18)17(21(23)24)14-27(19)30(28,29)16-6-3-5-15(22)13-16/h3-8,13-14,21H,2,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513548 (CHEMBL4440287) Show SMILES Nc1nc(N\N=C\c2ccc(cc2)N2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H26N8O5/c22-18-15-19(29(11-23-15)20-17(32)16(31)14(10-30)34-20)26-21(25-18)27-24-9-12-1-3-13(4-2-12)28-5-7-33-8-6-28/h1-4,9,11,14,16-17,20,30-32H,5-8,10H2,(H3,22,25,26,27)/b24-9+/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513539 (CHEMBL4552029) Show SMILES COc1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1 |r| Show InChI InChI=1S/C17H20N8O5/c1-29-10-3-2-8(4-19-10)5-21-24-17-22-14(18)11-15(23-17)25(7-20-11)16-13(28)12(27)9(6-26)30-16/h2-5,7,9,12-13,16,26-28H,6H2,1H3,(H3,18,22,23,24)/b21-5+/t9-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513558 (CHEMBL4436833) Show SMILES Nc1nc(N\N=C\c2ccccc2C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N8O4/c19-5-9-3-1-2-4-10(9)6-22-25-18-23-15(20)12-16(24-18)26(8-21-12)17-14(29)13(28)11(7-27)30-17/h1-4,6,8,11,13-14,17,27-29H,7H2,(H3,20,23,24,25)/b22-6+/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513541 (CHEMBL4533415) Show SMILES Nc1nc(N\N=C\c2ccc(cc2)C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N8O4/c19-5-9-1-3-10(4-2-9)6-22-25-18-23-15(20)12-16(24-18)26(8-21-12)17-14(29)13(28)11(7-27)30-17/h1-4,6,8,11,13-14,17,27-29H,7H2,(H3,20,23,24,25)/b22-6+/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513528 (CHEMBL4440214) Show SMILES Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N7O4/c17-13-10-14(21-16(20-13)22-19-5-8-3-1-2-4-8)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h5,7-9,11-12,15,24-26H,1-4,6H2,(H3,17,20,21,22)/b19-5+/t9-,11-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513530 (CHEMBL4446422) Show SMILES Nc1nc(N\N=C\c2ccc(o2)-c2ccc(Br)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H20BrN7O5/c22-11-3-1-10(2-4-11)13-6-5-12(33-13)7-25-28-21-26-18(23)15-19(27-21)29(9-24-15)20-17(32)16(31)14(8-30)34-20/h1-7,9,14,16-17,20,30-32H,8H2,(H3,23,26,27,28)/b25-7+/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513538 (CHEMBL4454157) Show SMILES Nc1nc(N\N=C\c2cccnc2Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17ClN8O4/c17-12-7(2-1-3-19-12)4-21-24-16-22-13(18)9-14(23-16)25(6-20-9)15-11(28)10(27)8(5-26)29-15/h1-4,6,8,10-11,15,26-28H,5H2,(H3,18,22,23,24)/b21-4+/t8-,10-,11-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513529 (CHEMBL4451808) Show SMILES Nc1nc(N\N=C\c2ccc(Br)cn2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17BrN8O4/c17-7-1-2-8(19-3-7)4-21-24-16-22-13(18)10-14(23-16)25(6-20-10)15-12(28)11(27)9(5-26)29-15/h1-4,6,9,11-12,15,26-28H,5H2,(H3,18,22,23,24)/b21-4+/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513557 (CHEMBL4439605) Show SMILES Nc1nc(N\N=C\c2ccc(cc2)N2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H26N8O4/c22-18-15-19(29(11-23-15)20-17(32)16(31)14(10-30)33-20)26-21(25-18)27-24-9-12-3-5-13(6-4-12)28-7-1-2-8-28/h3-6,9,11,14,16-17,20,30-32H,1-2,7-8,10H2,(H3,22,25,26,27)/b24-9+/t14-,16-,17-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513545 (CHEMBL4576915) Show SMILES Nc1nc(N\N=C\c2ccc(OCc3ccc(F)cc3)cc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H24FN7O5/c25-15-5-1-14(2-6-15)11-36-16-7-3-13(4-8-16)9-28-31-24-29-21(26)18-22(30-24)32(12-27-18)23-20(35)19(34)17(10-33)37-23/h1-9,12,17,19-20,23,33-35H,10-11H2,(H3,26,29,30,31)/b28-9+/t17-,19-,20-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513528 (CHEMBL4440214) Show SMILES Nc1nc(N\N=C\C2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23N7O4/c17-13-10-14(21-16(20-13)22-19-5-8-3-1-2-4-8)23(7-18-10)15-12(26)11(25)9(6-24)27-15/h5,7-9,11-12,15,24-26H,1-4,6H2,(H3,17,20,21,22)/b19-5+/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513554 (CHEMBL4438487) Show SMILES CC(Cc1ccc(cc1)C(C)C)\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C23H31N7O4/c1-12(2)15-6-4-14(5-7-15)8-13(3)9-26-29-23-27-20(24)17-21(28-23)30(11-25-17)22-19(33)18(32)16(10-31)34-22/h4-7,9,11-13,16,18-19,22,31-33H,8,10H2,1-3H3,(H3,24,27,28,29)/b26-9+/t13?,16-,18-,19-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513553 (CHEMBL4584669) Show SMILES CN(C)c1ccc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C19H24N8O4/c1-26(2)11-5-3-10(4-6-11)7-22-25-19-23-16(20)13-17(24-19)27(9-21-13)18-15(30)14(29)12(8-28)31-18/h3-7,9,12,14-15,18,28-30H,8H2,1-2H3,(H3,20,23,24,25)/b22-7+/t12-,14-,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394088 (US9974785, Example 7) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(F)F)c2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C20H21F2N3O2S/c1-14-5-7-15(8-6-14)28(26,27)25-13-16(20(21)22)19-17(3-2-4-18(19)25)24-11-9-23-10-12-24/h2-8,13,20,23H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513552 (CHEMBL4458638) Show SMILES Nc1nc(N\N=C\c2ccc3ncccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H20N8O4/c21-17-14-18(28(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)27-24-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-7,9,13,15-16,19,29-31H,8H2,(H3,21,25,26,27)/b24-7+/t13-,15-,16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513537 (CHEMBL4468448) Show SMILES Nc1nc(N\N=C\c2ccc[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H18N8O4/c16-12-9-13(21-15(20-12)22-19-4-7-2-1-3-17-7)23(6-18-9)14-11(26)10(25)8(5-24)27-14/h1-4,6,8,10-11,14,17,24-26H,5H2,(H3,16,20,21,22)/b19-4+/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513537 (CHEMBL4468448) Show SMILES Nc1nc(N\N=C\c2ccc[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H18N8O4/c16-12-9-13(21-15(20-12)22-19-4-7-2-1-3-17-7)23(6-18-9)14-11(26)10(25)8(5-24)27-14/h1-4,6,8,10-11,14,17,24-26H,5H2,(H3,16,20,21,22)/b19-4+/t8-,10-,11-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513541 (CHEMBL4533415) Show SMILES Nc1nc(N\N=C\c2ccc(cc2)C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N8O4/c19-5-9-1-3-10(4-2-9)6-22-25-18-23-15(20)12-16(24-18)26(8-21-12)17-14(29)13(28)11(7-27)30-17/h1-4,6,8,11,13-14,17,27-29H,7H2,(H3,20,23,24,25)/b22-6+/t11-,13-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50513538 (CHEMBL4454157) Show SMILES Nc1nc(N\N=C\c2cccnc2Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17ClN8O4/c17-12-7(2-1-3-19-12)4-21-24-16-22-13(18)9-14(23-16)25(6-20-9)15-11(28)10(27)8(5-26)29-15/h1-4,6,8,10-11,15,26-28H,5H2,(H3,18,22,23,24)/b21-4+/t8-,10-,11-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394102 (US9974785, Example 23) Show SMILES FC(F)c1cn(c2cc(Cl)cc(N3CCNCC3)c12)S(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H17ClF5N3O2S/c21-12-9-15(28-7-5-27-6-8-28)18-13(19(22)23)11-29(16(18)10-12)32(30,31)17-4-2-1-3-14(17)20(24,25)26/h1-4,9-11,19,27H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513552 (CHEMBL4458638) Show SMILES Nc1nc(N\N=C\c2ccc3ncccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H20N8O4/c21-17-14-18(28(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)27-24-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-7,9,13,15-16,19,29-31H,8H2,(H3,21,25,26,27)/b24-7+/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394091 (US9974785, Example 11) Show SMILES FC(F)c1cn(c2ccc(cc12)N1CCNCC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H19F2N3O2S/c20-19(21)17-13-24(27(25,26)15-4-2-1-3-5-15)18-7-6-14(12-16(17)18)23-10-8-22-9-11-23/h1-7,12-13,19,22H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394116 (US9974785, Example 54) Show SMILES FC(F)c1cn(c2cccc(NC3CCNCC3)c12)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C20H20BrF2N3O2S/c21-13-3-1-4-15(11-13)29(27,28)26-12-16(20(22)23)19-17(5-2-6-18(19)26)25-14-7-9-24-10-8-14/h1-6,11-12,14,20,24-25H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513551 (CHEMBL4447310) Show SMILES CCCCc1nc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c(Cl)[nH]1 |r| Show InChI InChI=1S/C18H24ClN9O4/c1-2-3-4-10-23-8(14(19)24-10)5-22-27-18-25-15(20)11-16(26-18)28(7-21-11)17-13(31)12(30)9(6-29)32-17/h5,7,9,12-13,17,29-31H,2-4,6H2,1H3,(H,23,24)(H3,20,25,26,27)/b22-5+/t9-,12-,13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394089 (US9974785, Example 8) Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(C(F)F)c2c(cccc12)N1CCNCC1 Show InChI InChI=1S/C20H21F2N3O3S/c1-28-14-5-7-15(8-6-14)29(26,27)25-13-16(20(21)22)19-17(3-2-4-18(19)25)24-11-9-23-10-12-24/h2-8,13,20,23H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394097 (US9974785, Example 17) Show SMILES FC(F)c1cn(c2ccc(cc12)N1CCNCC1)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H18F3N3O2S/c20-13-2-1-3-15(10-13)28(26,27)25-12-17(19(21)22)16-11-14(4-5-18(16)25)24-8-6-23-7-9-24/h1-5,10-12,19,23H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394093 (US9974785, Example 13) Show SMILES FC(F)c1cn(c2ccc(cc12)N1CCNCC1)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C19H18ClF2N3O2S/c20-16-3-1-2-4-18(16)28(26,27)25-12-15(19(21)22)14-11-13(5-6-17(14)25)24-9-7-23-8-10-24/h1-6,11-12,19,23H,7-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50513532 (CHEMBL4463100) Show SMILES Nc1nc(N\N=C\c2cccc(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H25N7O5/c25-21-18-22(31(13-26-18)23-20(34)19(33)17(11-32)36-23)29-24(28-21)30-27-10-15-7-4-8-16(9-15)35-12-14-5-2-1-3-6-14/h1-10,13,17,19-20,23,32-34H,11-12H2,(H3,25,28,29,30)/b27-10+/t17-,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Engineering Research Center for the Emergency Drug Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...				Eur J Med Chem 179: 310-324 (2019) Article DOI: 10.1016/j.ejmech.2019.06.050 BindingDB Entry DOI: 10.7270/Q24B34NM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394099 (US9974785, Example 19) Show SMILES FC(F)c1cn(c2ccc(cc12)N1CCNCC1)S(=O)(=O)c1cccc(Br)c1 Show InChI InChI=1S/C19H18BrF2N3O2S/c20-13-2-1-3-15(10-13)28(26,27)25-12-17(19(21)22)16-11-14(4-5-18(16)25)24-8-6-23-7-9-24/h1-5,10-12,19,23H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM394098 (US9974785, Example 18) Show SMILES FC(F)c1cn(c2ccc(cc12)N1CCNCC1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H18ClF2N3O2S/c20-13-2-1-3-15(10-13)28(26,27)25-12-17(19(21)22)16-11-14(4-5-18(16)25)24-8-6-23-7-9-24/h1-5,10-12,19,23H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys Inc.					Assay Description 32 μg membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention hav...				J Med Chem 52: 3047-62 (2009) BindingDB Entry DOI: 10.7270/Q27W6FH4
					More data for this Ligand-Target Pair

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