Compile Data Set for Download or QSAR

Found 183 hits with Last Name = 'burger' and Initial = 'a'   

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'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli)	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli)	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant human PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex ...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of human MTAP using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant human PNP using inosine as substrate by xanthine oxidase coupling enzyme assay				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240839 (CHEMBL4062581) Show SMILES COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-5-3-4-15(10-16)13-25-20-19(21(27)26(22(25)28)12-14-6-7-14)24-9-8-17(30-2)11-18(24)23-20/h3-5,8-11,14H,6-7,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240839 (CHEMBL4062581) Show SMILES COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-5-3-4-15(10-16)13-25-20-19(21(27)26(22(25)28)12-14-6-7-14)24-9-8-17(30-2)11-18(24)23-20/h3-5,8-11,14H,6-7,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
S-methyl-5'-thioadenosine phosphorylase (Homo sapiens (Human))	BDBM22113 ((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240840 (CHEMBL4090548) Show SMILES CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C23H24N4O3/c1-3-15-4-6-16(7-5-15)13-26-21-20(22(28)27(23(26)29)14-17-8-9-17)25-11-10-18(30-2)12-19(25)24-21/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240840 (CHEMBL4090548) Show SMILES CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C23H24N4O3/c1-3-15-4-6-16(7-5-15)13-26-21-20(22(28)27(23(26)29)14-17-8-9-17)25-11-10-18(30-2)12-19(25)24-21/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50397723 (CHEMBL2181964) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240846 (CHEMBL4072249) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-28-16-9-10-23-17(11-16)22-19-18(23)20(26)25(13-15-7-8-15)21(27)24(19)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50397723 (CHEMBL2181964) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240846 (CHEMBL4072249) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-28-16-9-10-23-17(11-16)22-19-18(23)20(26)25(13-15-7-8-15)21(27)24(19)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240831 (CHEMBL4068128) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state.				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240830 (CHEMBL4074587) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)C)c(=O)c21 Show InChI InChI=1S/C21H22N4O3/c1-14(2)12-25-20(26)18-19(22-17-11-16(28-3)9-10-23(17)18)24(21(25)27)13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240836 (CHEMBL4059466) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Br)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19BrN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240832 (CHEMBL4087363) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC=C)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h3,5-10,12-13H,1,4,11,14H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was tested for binding activity against HIV-1 protease				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240838 (CHEMBL4098263) Show SMILES COc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-7-5-15(6-8-16)12-25-20-19(21(27)26(22(25)28)13-14-3-4-14)24-10-9-17(30-2)11-18(24)23-20/h5-11,14H,3-4,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240836 (CHEMBL4059466) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Br)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19BrN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240831 (CHEMBL4068128) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240830 (CHEMBL4074587) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)C)c(=O)c21 Show InChI InChI=1S/C21H22N4O3/c1-14(2)12-25-20(26)18-19(22-17-11-16(28-3)9-10-23(17)18)24(21(25)27)13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240838 (CHEMBL4098263) Show SMILES COc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-7-5-15(6-8-16)12-25-20-19(21(27)26(22(25)28)13-14-3-4-14)24-10-9-17(30-2)11-18(24)23-20/h5-11,14H,3-4,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state.				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240832 (CHEMBL4087363) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC=C)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h3,5-10,12-13H,1,4,11,14H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240861 (CHEMBL4084043) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240841 (CHEMBL4082732) Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-4-3-5-16(10-14)13-25-20-19(21(27)26(22(25)28)12-15-6-7-15)24-9-8-17(29-2)11-18(24)23-20/h3-5,8-11,15H,6-7,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240841 (CHEMBL4082732) Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-4-3-5-16(10-14)13-25-20-19(21(27)26(22(25)28)12-15-6-7-15)24-9-8-17(29-2)11-18(24)23-20/h3-5,8-11,15H,6-7,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding activity against HIV-1 Protease				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240861 (CHEMBL4084043) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240867 (CHEMBL4085275) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(C[Si](C)(C)C)c(=O)c21 Show InChI InChI=1S/C21H24N4O3Si/c1-28-16-10-11-23-17(12-16)22-19-18(23)20(26)25(14-29(2,3)4)21(27)24(19)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240842 (CHEMBL4093013) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CCC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-29-17-10-11-24-18(12-17)23-20-19(24)21(27)26(14-16-8-5-9-16)22(28)25(20)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240867 (CHEMBL4085275) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(C[Si](C)(C)C)c(=O)c21 Show InChI InChI=1S/C21H24N4O3Si/c1-28-16-10-11-23-17(12-16)22-19-18(23)20(26)25(14-29(2,3)4)21(27)24(19)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240842 (CHEMBL4093013) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CCC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-29-17-10-11-24-18(12-17)23-20-19(24)21(27)26(14-16-8-5-9-16)22(28)25(20)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240859 (CHEMBL4068676) Show SMILES CCCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C23H26N4O3/c1-3-4-5-9-13-26-22(28)20-21(24-19-15-18(30-2)12-14-25(19)20)27(23(26)29)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240859 (CHEMBL4068676) Show SMILES CCCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C23H26N4O3/c1-3-4-5-9-13-26-22(28)20-21(24-19-15-18(30-2)12-14-25(19)20)27(23(26)29)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116368 (1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240854 (CHEMBL4102809) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-26-20(27)18-19(23-17-12-16(29-4)10-11-24(17)18)25(21(26)28)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50116368 (1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...) Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240853 (CHEMBL4084856) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-15(2)9-11-25-21(27)19-20(23-18-13-17(29-3)10-12-24(18)19)26(22(25)28)14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding activity against HIV-1 Protease				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240860 (CHEMBL4102026) Show SMILES CCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C22H24N4O3/c1-3-4-8-12-25-21(27)19-20(23-18-14-17(29-2)11-13-24(18)19)26(22(25)28)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240860 (CHEMBL4102026) Show SMILES CCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C22H24N4O3/c1-3-4-8-12-25-21(27)19-20(23-18-14-17(29-2)11-13-24(18)19)26(22(25)28)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240853 (CHEMBL4084856) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-15(2)9-11-25-21(27)19-20(23-18-13-17(29-3)10-12-24(18)19)26(22(25)28)14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240854 (CHEMBL4102809) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-26-20(27)18-19(23-17-12-16(29-4)10-11-24(17)18)25(21(26)28)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240857 (CHEMBL4103734) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H16N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h1,4-9,11-12H,10,13H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240857 (CHEMBL4103734) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H16N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h1,4-9,11-12H,10,13H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Escherichia coli)	BDBM50116357 (CHEMBL3604360) Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O |r| Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240869 (CHEMBL4071229) Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-7-8-24-17(10-16)23-19-18(24)20(27)26(11-13-5-6-13)21(28)25(19)12-14-3-2-4-15(22)9-14/h2-4,7-10,13H,5-6,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240837 (CHEMBL4095515) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)c(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H18Cl2N4O3/c1-30-14-6-7-25-17(9-14)24-19-18(25)20(28)27(10-12-2-3-12)21(29)26(19)11-13-4-5-15(22)16(23)8-13/h4-9,12H,2-3,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240869 (CHEMBL4071229) Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-7-8-24-17(10-16)23-19-18(24)20(27)26(11-13-5-6-13)21(28)25(19)12-14-3-2-4-15(22)9-14/h2-4,7-10,13H,5-6,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240837 (CHEMBL4095515) Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)c(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H18Cl2N4O3/c1-30-14-6-7-25-17(9-14)24-19-18(25)20(28)27(10-12-2-3-12)21(29)26(19)11-13-4-5-15(22)16(23)8-13/h4-9,12H,2-3,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair

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