Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 8988   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434802 (US10577368, Compound 100) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C20H19BrN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434800 (US10577368, Compound 16) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccsc1 |r| Show InChI InChI=1S/C20H20N6O3S/c1-21-17-13-18(25-12(24-17)4-3-10-5-6-30-8-10)26(9-23-13)14-11-7-20(11,19(29)22-2)16(28)15(14)27/h5-6,8-9,11,14-16,27-28H,7H2,1-2H3,(H,22,29)(H,21,24,25)/t11?,14-,15+,16?,20-/m1/s1	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
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434831 (US10577368, Compound 113) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C14H17N9O3/c1-16-10-6-11(20-13(19-10)21-22-15)23(4-18-6)7-5-3-14(5,12(26)17-2)9(25)8(7)24/h4-5,7-9,24-25H,3H2,1-2H3,(H,17,26)(H,16,19,20)/t5?,7-,8+,9?,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434799 (US10577368, Compound 8) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cccs1 |r| Show InChI InChI=1S/C20H20N6O3S/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434826 (US10577368, Compound 111) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Br)s1 |r| Show InChI InChI=1S/C20H20BrN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434839 (US10577368, Compound 123) Show SMILES CCNc1nc(N=[N+]=[N-])nc2n(cnc12)[C@@H]1C2C[C@@]2(C(O)[C@H]1O)C(=O)NC |r| Show InChI InChI=1S/C15H19N9O3/c1-3-18-11-7-12(21-14(20-11)22-23-16)24(5-19-7)8-6-4-15(6,13(27)17-2)10(26)9(8)25/h5-6,8-10,25-26H,3-4H2,1-2H3,(H,17,27)(H,18,20,21)/t6?,8-,9+,10?,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434795 (US10577368, Compound 17) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccco1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)6-5-10-4-3-7-30-10)26(9-23-13)14-11-8-20(11,19(29)22-2)16(28)15(14)27/h3-4,7,9,11,14-16,27-28H,8H2,1-2H3,(H,22,29)(H,21,24,25)/t11?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434783 (US10577368, Compound 11) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C23H24N6O4/c1-24-20-16-21(28-15(27-20)9-6-12-4-7-13(33-3)8-5-12)29(11-26-16)17-14-10-23(14,22(32)25-2)19(31)18(17)30/h4-5,7-8,11,14,17-19,30-31H,10H2,1-3H3,(H,25,32)(H,24,27,28)/t14?,17-,18+,19?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434801 (US10577368, Compound 32) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1 |r| Show InChI InChI=1S/C20H19ClN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10?,14-,15+,16?,20-/m1/s1	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
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434824 (US10577368, Compound 109) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(F)s1 |r| Show InChI InChI=1S/C20H20FN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434785 (US10577368, Compound 13) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1OC |r| Show InChI InChI=1S/C23H24N6O4/c1-24-20-16-21(28-15(27-20)9-8-12-6-4-5-7-14(12)33-3)29(11-26-16)17-13-10-23(13,22(32)25-2)19(31)18(17)30/h4-7,11,13,17-19,30-31H,10H2,1-3H3,(H,25,32)(H,24,27,28)/t13?,17-,18+,19?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434780 (US10577368, Compound 400) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H22N6O3/c1-23-19-15-20(27-14(26-19)9-8-12-6-4-3-5-7-12)28(11-25-15)16-13-10-22(13,21(31)24-2)18(30)17(16)29/h3-7,11,13,16-18,29-30H,10H2,1-2H3,(H,24,31)(H,23,26,27)/t13?,16-,17+,18?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434835 (US10577368, Compound 117) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NCCc3ccccc3)nc(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C21H23N9O3/c1-23-19(33)21-9-12(21)14(15(31)16(21)32)30-10-25-13-17(26-20(28-29-22)27-18(13)30)24-8-7-11-5-3-2-4-6-11/h2-6,10,12,14-16,31-32H,7-9H2,1H3,(H,23,33)(H,24,26,27)/t12?,14-,15+,16?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434833 (US10577368, Compound 115) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC3CCC3)nc(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C17H21N9O3/c1-19-15(29)17-5-8(17)10(11(27)12(17)28)26-6-20-9-13(21-7-3-2-4-7)22-16(24-25-18)23-14(9)26/h6-8,10-12,27-28H,2-5H2,1H3,(H,19,29)(H,21,22,23)/t8?,10-,11+,12?,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434784 (US10577368, Compound 12) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(OC)c1 |r| Show InChI InChI=1S/C23H24N6O4/c1-24-20-16-21(28-15(27-20)8-7-12-5-4-6-13(9-12)33-3)29(11-26-16)17-14-10-23(14,22(32)25-2)19(31)18(17)30/h4-6,9,11,14,17-19,30-31H,10H2,1-3H3,(H,25,32)(H,24,27,28)/t14?,17-,18+,19?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434837 (US10577368, Compound 119) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NCCc3ccccc3)nc(I)nc12 |r| Show InChI InChI=1S/C21H23IN6O3/c1-23-19(31)21-9-12(21)14(15(29)16(21)30)28-10-25-13-17(26-20(22)27-18(13)28)24-8-7-11-5-3-2-4-6-11/h2-6,10,12,14-16,29-30H,7-9H2,1H3,(H,23,31)(H,24,26,27)/t12?,14-,15+,16?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434803 (US10577368, Compound 101) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1nccs1 |r| Show InChI InChI=1S/C19H19N7O3S/c1-20-16-12-17(25-10(24-16)3-4-11-22-5-6-30-11)26(8-23-12)13-9-7-19(9,18(29)21-2)15(28)14(13)27/h5-6,8-9,13-15,27-28H,7H2,1-2H3,(H,21,29)(H,20,24,25)/t9?,13-,14+,15?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434802 (US10577368, Compound 100) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1 |r| Show InChI InChI=1S/C20H19BrN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434822 (US10577368, Compound 107) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccco1 |r| Show InChI InChI=1S/C20H21N9O4/c1-21-16-12-17(25-19(24-16)29-7-10(26-27-29)11-4-3-5-33-11)28(8-23-12)13-9-6-20(9,18(32)22-2)15(31)14(13)30/h3-5,7-9,13-15,30-31H,6H2,1-2H3,(H,22,32)(H,21,24,25)/t9?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434781 (US10577368, Compound 401) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C21H21N7O3/c1-22-18-14-19(27-13(26-18)7-6-11-5-3-4-8-24-11)28(10-25-14)15-12-9-21(12,20(31)23-2)17(30)16(15)29/h3-5,8,10,12,15-17,29-30H,9H2,1-2H3,(H,23,31)(H,22,26,27)/t12?,15-,16+,17?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434817 (US10577368, Compound 102) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H21F2N9O3/c1-25-18-14-19(32(8-27-14)15-10-6-22(10,20(36)26-2)17(35)16(15)34)29-21(28-18)33-7-13(30-31-33)9-3-4-11(23)12(24)5-9/h3-5,7-8,10,15-17,34-35H,6H2,1-2H3,(H,26,36)(H,25,28,29)/t10?,15-,16+,17?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434840 (US10577368, Compound 124) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NCc3cccc(Cl)c3)nc(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C20H20ClN9O3/c1-23-18(33)20-6-11(20)13(14(31)15(20)32)30-8-25-12-16(26-19(28-29-22)27-17(12)30)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,31-32H,6-7H2,1H3,(H,23,33)(H,24,26,27)/t11?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434806 (US10577368, Compound 20) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#CC1CC1 |r| Show InChI InChI=1S/C19H22N6O3/c1-20-16-12-17(24-11(23-16)6-5-9-3-4-9)25(8-22-12)13-10-7-19(10,18(28)21-2)15(27)14(13)26/h8-10,13-15,26-27H,3-4,7H2,1-2H3,(H,21,28)(H,20,23,24)/t10?,13-,14+,15?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434838 (US10577368, Compound 122) Show SMILES CCNc1nc(I)nc2n(cnc12)[C@@H]1C2C[C@@]2(C(O)[C@H]1O)C(=O)NC |r| Show InChI InChI=1S/C15H19IN6O3/c1-3-18-11-7-12(21-14(16)20-11)22(5-19-7)8-6-4-15(6,13(25)17-2)10(24)9(8)23/h5-6,8-10,23-24H,3-4H2,1-2H3,(H,17,25)(H,18,20,21)/t6?,8-,9+,10?,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434825 (US10577368, Compound 110) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc(Cl)s1 |r| Show InChI InChI=1S/C20H20ClN9O3S/c1-22-16-12-17(26-19(25-16)30-6-9(27-28-30)10-3-4-11(21)34-10)29(7-24-12)13-8-5-20(8,18(33)23-2)15(32)14(13)31/h3-4,6-8,13-15,31-32H,5H2,1-2H3,(H,23,33)(H,22,25,26)/t8?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434823 (US10577368, Compound 108) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1cc2ccccc2o1 |r| Show InChI InChI=1S/C24H23N9O4/c1-25-20-16-21(32(10-27-16)17-12-8-24(12,22(36)26-2)19(35)18(17)34)29-23(28-20)33-9-13(30-31-33)15-7-11-5-3-4-6-14(11)37-15/h3-7,9-10,12,17-19,34-35H,8H2,1-2H3,(H,26,36)(H,25,28,29)/t12?,17-,18+,19?,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434796 (US10577368, Compound 29) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cc(C)c(C)o1 |r| Show InChI InChI=1S/C22H24N6O4/c1-10-7-12(32-11(10)2)5-6-14-26-19(23-3)15-20(27-14)28(9-25-15)16-13-8-22(13,21(31)24-4)18(30)17(16)29/h7,9,13,16-18,29-30H,8H2,1-4H3,(H,24,31)(H,23,26,27)/t13?,16-,17+,18?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434797 (US10577368, Compound 34) Show SMILES CCc1ccc(o1)C#Cc1nc(NC)c2ncn([C@@H]3C4C[C@@]4(C(O)[C@H]3O)C(=O)NC)c2n1 |r| Show InChI InChI=1S/C22H24N6O4/c1-4-11-5-6-12(32-11)7-8-14-26-19(23-2)15-20(27-14)28(10-25-15)16-13-9-22(13,21(31)24-3)18(30)17(16)29/h5-6,10,13,16-18,29-30H,4,9H2,1-3H3,(H,24,31)(H,23,26,27)/t13?,16-,17+,18?,22-/m1/s1	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
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434782 (US10577368, Compound 402) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2cnc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C21H19N5O3/c1-22-20(29)21-9-13(21)16(17(27)18(21)28)26-11-24-14-10-23-15(25-19(14)26)8-7-12-5-3-2-4-6-12/h2-6,10-11,13,16-18,27-28H,9H2,1H3,(H,22,29)/t13?,16-,17+,18?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434836 (US10577368, Compound 118) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC3CCC3)nc(I)nc12 |r| Show InChI InChI=1S/C17H21IN6O3/c1-19-15(27)17-5-8(17)10(11(25)12(17)26)24-6-20-9-13(21-7-3-2-4-7)22-16(18)23-14(9)24/h6-8,10-12,25-26H,2-5H2,1H3,(H,19,27)(H,21,22,23)/t8?,10-,11+,12?,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434798 (US10577368, Compound 33) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cc2ccccc2o1 |r| Show InChI InChI=1S/C24H22N6O4/c1-25-21-17-22(29-16(28-21)8-7-13-9-12-5-3-4-6-15(12)34-13)30(11-27-17)18-14-10-24(14,23(33)26-2)20(32)19(18)31/h3-6,9,11,14,18-20,31-32H,10H2,1-2H3,(H,26,33)(H,25,28,29)/t14?,18-,19+,20?,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434805 (US10577368, Compound 19) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#CC1CCCCC1 |r| Show InChI InChI=1S/C22H28N6O3/c1-23-19-15-20(27-14(26-19)9-8-12-6-4-3-5-7-12)28(11-25-15)16-13-10-22(13,21(31)24-2)18(30)17(16)29/h11-13,16-18,29-30H,3-7,10H2,1-2H3,(H,24,31)(H,23,26,27)/t13?,16-,17+,18?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434791 (US10577368, Compound 7) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cnccn1 |r| Show InChI InChI=1S/C20H20N8O3/c1-21-17-13-18(27-12(26-17)4-3-10-8-23-5-6-24-10)28(9-25-13)14-11-7-20(11,19(31)22-2)16(30)15(14)29/h5-6,8-9,11,14-16,29-30H,7H2,1-2H3,(H,22,31)(H,21,26,27)/t11?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434803 (US10577368, Compound 101) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1nccs1 |r| Show InChI InChI=1S/C19H19N7O3S/c1-20-16-12-17(25-10(24-16)3-4-11-22-5-6-30-11)26(8-23-12)13-9-7-19(9,18(29)21-2)15(28)14(13)27/h5-6,8-9,13-15,27-28H,7H2,1-2H3,(H,21,29)(H,20,24,25)/t9?,13-,14+,15?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434818 (US10577368, Compound 103) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccccn1 |r| Show InChI InChI=1S/C21H22N10O3/c1-22-17-13-18(27-20(26-17)31-8-12(28-29-31)11-5-3-4-6-24-11)30(9-25-13)14-10-7-21(10,19(34)23-2)16(33)15(14)32/h3-6,8-10,14-16,32-33H,7H2,1-2H3,(H,23,34)(H,22,26,27)/t10?,14-,15+,16?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434832 (US10577368, Compound 114) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(I)nc12 |r| Show InChI InChI=1S/C14H17IN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)/t5?,7-,8+,9?,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434790 (US10577368, Compound 6) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ncccn1 |r| Show InChI InChI=1S/C20H20N8O3/c1-21-17-13-18(27-12(26-17)5-4-11-23-6-3-7-24-11)28(9-25-13)14-10-8-20(10,19(31)22-2)16(30)15(14)29/h3,6-7,9-10,14-16,29-30H,8H2,1-2H3,(H,22,31)(H,21,26,27)/t10?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434788 (US10577368, Compound 300) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccncc1 |r| Show InChI InChI=1S/C21H21N7O3/c1-22-18-14-19(27-13(26-18)4-3-11-5-7-24-8-6-11)28(10-25-14)15-12-9-21(12,20(31)23-2)17(30)16(15)29/h5-8,10,12,15-17,29-30H,9H2,1-2H3,(H,23,31)(H,22,26,27)/t12?,15-,16+,17?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434789 (US10577368, Compound 15) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cccnc1 |r| Show InChI InChI=1S/C21H21N7O3/c1-22-18-14-19(27-13(26-18)6-5-11-4-3-7-24-9-11)28(10-25-14)15-12-8-21(12,20(31)23-2)17(30)16(15)29/h3-4,7,9-10,12,15-17,29-30H,8H2,1-2H3,(H,23,31)(H,22,26,27)/t12?,15-,16+,17?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434787 (US10577368, Compound 31) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(CO)cc1 |r| Show InChI InChI=1S/C23H24N6O4/c1-24-20-16-21(28-15(27-20)8-7-12-3-5-13(10-30)6-4-12)29(11-26-16)17-14-9-23(14,22(33)25-2)19(32)18(17)31/h3-6,11,14,17-19,30-32H,9-10H2,1-2H3,(H,25,33)(H,24,27,28)/t14?,17-,18+,19?,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434821 (US10577368, Compound 106) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H23N11O3/c1-21-16-12-17(26-19(25-16)31-7-11(27-28-31)9-5-24-29(3)6-9)30(8-23-12)13-10-4-20(10,18(34)22-2)15(33)14(13)32/h5-8,10,13-15,32-33H,4H2,1-3H3,(H,22,34)(H,21,25,26)/t10?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434820 (US10577368, Compound 105) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1cnccn1 |r| Show InChI InChI=1S/C20H21N11O3/c1-21-16-12-17(27-19(26-16)31-7-11(28-29-31)10-6-23-3-4-24-10)30(8-25-12)13-9-5-20(9,18(34)22-2)15(33)14(13)32/h3-4,6-9,13-15,32-33H,5H2,1-2H3,(H,22,34)(H,21,26,27)/t9?,13-,14+,15?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434793 (US10577368, Compound 9) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cc[nH]n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434794 (US10577368, Compound 18) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cnn(C)c1 |r| Show InChI InChI=1S/C20H22N8O3/c1-21-17-13-18(26-12(25-17)5-4-10-7-24-27(3)8-10)28(9-23-13)14-11-6-20(11,19(31)22-2)16(30)15(14)29/h7-9,11,14-16,29-30H,6H2,1-3H3,(H,22,31)(H,21,25,26)/t11?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434804 (US10577368, Compound 37) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1ccc[c-]1[Fe++][c-]1cccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434827 (US10577368, Compound 112) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ccc[c-]1[Fe++][c-]1cccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434786 (US10577368, Compound 14) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H21F3N6O3/c1-27-19-15-20(31-14(30-19)7-6-11-4-3-5-12(8-11)23(24,25)26)32(10-29-15)16-13-9-22(13,21(35)28-2)18(34)17(16)33/h3-5,8,10,13,16-18,33-34H,9H2,1-2H3,(H,28,35)(H,27,30,31)/t13?,16-,17+,18?,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434819 (US10577368, Compound 104) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)-n1cc(nn1)-c1ncccn1 |r| Show InChI InChI=1S/C20H21N11O3/c1-21-16-11-17(27-19(26-16)31-7-10(28-29-31)15-23-4-3-5-24-15)30(8-25-11)12-9-6-20(9,18(34)22-2)14(33)13(12)32/h3-5,7-9,12-14,32-33H,6H2,1-2H3,(H,22,34)(H,21,26,27)/t9?,12-,13+,14?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434807 (US10577368, Compound MRS5698) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17?,22-,23+,24?,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434792 (US10577368, Compound 10) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1cccnn1 |r| Show InChI InChI=1S/C20H20N8O3/c1-21-17-13-18(26-12(25-17)6-5-10-4-3-7-24-27-10)28(9-23-13)14-11-8-20(11,19(31)22-2)16(30)15(14)29/h3-4,7,9,11,14-16,29-30H,8H2,1-2H3,(H,22,31)(H,21,25,26)/t11?,14-,15+,16?,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair

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