Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'terre'blanche' and Initial = 'g'   

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 A2a (Rattus norvegicus (rat))	BDBM110150 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3-diethyl-7- m...) Show SMILES CCn1c2nc(\C=C\c3cccc(c3)C(F)(F)F)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C19H19F3N4O2/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)10-9-12-7-6-8-13(11-12)19(20,21)22/h6-11H,4-5H2,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110148 ((E)-8-(3-Bromostyryl)-1,3-diethyl-7-methylxanthine...) Show SMILES CCn1c2nc(\C=C\c3cccc(Br)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110145 ((E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthin...) Show SMILES CCn1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19ClN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)10-9-12-7-6-8-13(19)11-12/h6-11H,4-5H2,1-3H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110137 ((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c)) Show SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110149 ((E)-8-(4-Bromostyryl)-1,3-diethyl-7-methylxanthine...) Show SMILES CCn1c2nc(\C=C\c3ccc(Br)cc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-8-12-6-9-13(19)10-7-12/h6-11H,4-5H2,1-3H3/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110141 ((E)-8-(3,4-Dichlorostyryl)-1,3-dimethyl-7-ethylxan...) Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16Cl2N4O2/c1-4-23-13(8-6-10-5-7-11(18)12(19)9-10)20-15-14(23)16(24)22(3)17(25)21(15)2/h5-9H,4H2,1-3H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110136 ((E)-8-(3,4-Dichlorostyryl)caffeine (4b)) Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H14Cl2N4O2/c1-20-12(7-5-9-4-6-10(17)11(18)8-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b7-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110142 ((E)-8-(3-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...) Show SMILES CCn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17BrN4O2/c1-4-22-13(9-8-11-6-5-7-12(18)10-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	58.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110155 ((E)-8-(4-Bromostyryl)-1,3,7-triethylxanthine (7e)) Show SMILES CCn1c(\C=C\c2ccc(Br)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21BrN4O2/c1-4-22-15(12-9-13-7-10-14(20)11-8-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110144 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3-dimethyl-7-e...) Show SMILES CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H17F3N4O2/c1-4-25-13(9-8-11-6-5-7-12(10-11)18(19,20)21)22-15-14(25)16(26)24(3)17(27)23(15)2/h5-10H,4H2,1-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	93.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110140 ((E)-8-(4-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...) Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(10-7-11-5-8-12(18)9-6-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	95.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50047157 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-trimethylx...) Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H15F3N4O2/c1-22-12(8-7-10-5-4-6-11(9-10)17(18,19)20)21-14-13(22)15(25)24(3)16(26)23(14)2/h4-9H,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110138 ((E)-8-(4-Bromostyryl)-1,3,7-trimethylxanthine (4d)) Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15BrN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50420978 (8-Phenoxymethylcaffeine (8a) | CHEMBL2088299) Show SMILES Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110154 ((E)-8-(3-Bromostyryl)-1,3,7-triethylxanthine (7d)) Show SMILES CCn1c(\C=C\c2cccc(Br)c2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21BrN4O2/c1-4-22-15(11-10-13-8-7-9-14(20)12-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50425477 ((E)-8-(4-Chlorostyryl)caffeine (4a) | CHEMBL231328...) Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393880 (CHEMBL2158245) Show SMILES COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C16H13NO3S/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13-14(8-12)16(19)17-15(13)18/h2-8H,9H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110139 ((E)-8-(3-Chlorostyryl)-1,3-dimethyl-7-ethylxanthin...) Show SMILES CCn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17ClN4O2/c1-4-22-13(9-8-11-6-5-7-12(18)10-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110153 ((E)-8-(3,4-Dichlorostyryl)-1,3,7-triethylxanthine ...) Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H20Cl2N4O2/c1-4-23-15(10-8-12-7-9-13(20)14(21)11-12)22-17-16(23)18(26)25(6-3)19(27)24(17)5-2/h7-11H,4-6H2,1-3H3/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110143 ((E)-8-(4-Bromostyryl)-1,3-dimethyl-7-ethylxanthine...) Show SMILES CCn1c(\C=C\c2ccc(Br)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H17BrN4O2/c1-4-22-13(10-7-11-5-8-12(18)9-6-11)19-15-14(22)16(23)21(3)17(24)20(15)2/h5-10H,4H2,1-3H3/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	546	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393884 (CHEMBL2158241) Show SMILES O=C1NC(=O)c2cc(SCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO2S/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	548	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393884 (CHEMBL2158241) Show SMILES O=C1NC(=O)c2cc(SCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO2S/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	595	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393879 (CHEMBL2158246) Show SMILES O=C1NC(=O)c2cc(Sc3ccccc3)ccc12 Show InChI InChI=1S/C14H9NO2S/c16-13-11-7-6-10(8-12(11)14(17)15-13)18-9-4-2-1-3-5-9/h1-8H,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	648	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393876 (CHEMBL2158249) Show SMILES O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12 Show InChI InChI=1S/C16H13NO2S/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	649	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393882 (CHEMBL2158243) Show SMILES Brc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10BrNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	676	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50393884 (CHEMBL2158241) Show SMILES O=C1NC(=O)c2cc(SCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO2S/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110163 (8-(3-Phenylpropyl)-1,3,7-triethylxanthine (9d)) Show SMILES CCn1c(CCCc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C20H26N4O2/c1-4-22-16(14-10-13-15-11-8-7-9-12-15)21-18-17(22)19(25)24(6-3)20(26)23(18)5-2/h7-9,11-12H,4-6,10,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110162 (8-(3-Phenylpropyl)-1,3-diethyl-7-methylxanthine (9...) Show SMILES CCn1c2nc(CCCc3ccccc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-4-22-17-16(18(24)23(5-2)19(22)25)21(3)15(20-17)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110161 (8-(3-Phenylpropyl)-1,3-dimethyl-7-ethylxanthine (9...) Show SMILES CCn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C18H22N4O2/c1-4-22-14(12-8-11-13-9-6-5-7-10-13)19-16-15(22)17(23)21(3)18(24)20(16)2/h5-7,9-10H,4,8,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110159 (8-Phenoxymethyl-1,3,7-triethylxanthine (8d)) Show SMILES CCn1c(COc2ccccc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C18H22N4O3/c1-4-20-14(12-25-13-10-8-7-9-11-13)19-16-15(20)17(23)22(6-3)18(24)21(16)5-2/h7-11H,4-6,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110158 (8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c)) Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110157 (8-Phenoxymethyl-1,3-dimethyl-7-ethylxantine (8b)) Show SMILES CCn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C16H18N4O3/c1-4-20-12(10-23-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2/h5-9H,4,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110156 ((E)-8-[3-(Trifluoromethyl)styryl]-1,3,7-triethylxa...) Show SMILES CCn1c(\C=C\c2cccc(c2)C(F)(F)F)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C20H21F3N4O2/c1-4-25-15(11-10-13-8-7-9-14(12-13)20(21,22)23)24-17-16(25)18(28)27(6-3)19(29)26(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110152 ((E)-8-(4-Chlorostyryl)-1,3,7-triethylxanthine (7b)) Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21ClN4O2/c1-4-22-15(12-9-13-7-10-14(20)11-8-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110151 ((E)-8-(3-Chlorostyryl)-1,3,7-triethylxanthine (7a)) Show SMILES CCn1c(\C=C\c2cccc(Cl)c2)nc2n(CC)c(=O)n(CC)c(=O)c12 Show InChI InChI=1S/C19H21ClN4O2/c1-4-22-15(11-10-13-8-7-9-14(20)12-13)21-17-16(22)18(25)24(6-3)19(26)23(17)5-2/h7-12H,4-6H2,1-3H3/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM110160 (8-(3-Phenylpropyl)-1,3,7-trimethylxanthine (9a)) Show SMILES Cn1c(CCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H20N4O2/c1-19-13(11-7-10-12-8-5-4-6-9-12)18-15-14(19)16(22)21(3)17(23)20(15)2/h4-6,8-9H,7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393880 (CHEMBL2158245) Show SMILES COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C16H13NO3S/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13-14(8-12)16(19)17-15(13)18/h2-8H,9H2,1H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393876 (CHEMBL2158249) Show SMILES O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12 Show InChI InChI=1S/C16H13NO2S/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50350641 (CHEMBL342357) Show SMILES O=C1NC(=O)c2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO3/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393881 (CHEMBL2158244) Show SMILES Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10FNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393879 (CHEMBL2158246) Show SMILES O=C1NC(=O)c2cc(Sc3ccccc3)ccc12 Show InChI InChI=1S/C14H9NO2S/c16-13-11-7-6-10(8-12(11)14(17)15-13)18-9-4-2-1-3-5-9/h1-8H,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50334284 (5-Benzyloxyisatin | CHEMBL1642670) Show SMILES O=C1Nc2ccc(OCc3ccccc3)cc2C1=O Show InChI InChI=1S/C15H11NO3/c17-14-12-8-11(6-7-13(12)16-15(14)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50393881 (CHEMBL2158244) Show SMILES Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10FNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50393876 (CHEMBL2158249) Show SMILES O=C1NC(=O)c2cc(SCCc3ccccc3)ccc12 Show InChI InChI=1S/C16H13NO2S/c18-15-13-7-6-12(10-14(13)16(19)17-15)20-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50393881 (CHEMBL2158244) Show SMILES Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10FNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University					Assay Description For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50393881 (CHEMBL2158244) Show SMILES Fc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10FNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.4	n/a
North-West University					Assay Description The enzymatic reactions were carried out at pH 7.4 (K2HPO4/KH2PO4 100 mM, made isotonic with KCl) to a final volume of 500 µL. The reactions containe...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50393877 (CHEMBL2158248) Show SMILES Brc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C14H8BrNO2S/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	443	n/a	n/a	n/a	n/a	7.4	n/a
North-West University					Assay Description The enzymatic reactions were carried out at pH 7.4 (K2HPO4/KH2PO4 100 mM, made isotonic with KCl) to a final volume of 500 µL. The reactions containe...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50393883 (CHEMBL2158242) Show SMILES Clc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C15H10ClNO2S/c16-10-3-1-9(2-4-10)8-20-11-5-6-12-13(7-11)15(19)17-14(12)18/h1-7H,8H2,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.4	n/a
North-West University					Assay Description The enzymatic reactions were carried out at pH 7.4 (K2HPO4/KH2PO4 100 mM, made isotonic with KCl) to a final volume of 500 µL. The reactions containe...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50393878 (CHEMBL2158247) Show SMILES Clc1ccc(Sc2ccc3C(=O)NC(=O)c3c2)cc1 Show InChI InChI=1S/C14H8ClNO2S/c15-8-1-3-9(4-2-8)19-10-5-6-11-12(7-10)14(18)16-13(11)17/h1-7H,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	7.4	n/a
North-West University					Assay Description The enzymatic reactions were carried out at pH 7.4 (K2HPO4/KH2PO4 100 mM, made isotonic with KCl) to a final volume of 500 µL. The reactions containe...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50393884 (CHEMBL2158241) Show SMILES O=C1NC(=O)c2cc(SCc3ccccc3)ccc12 Show InChI InChI=1S/C15H11NO2S/c17-14-12-7-6-11(8-13(12)15(18)16-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	7.4	n/a
North-West University					Assay Description The enzymatic reactions were carried out at pH 7.4 (K2HPO4/KH2PO4 100 mM, made isotonic with KCl) to a final volume of 500 µL. The reactions containe...				Bioorg Chem 59: 117-23 (2015) Article DOI: 10.1016/j.bioorg.2015.02.005 BindingDB Entry DOI: 10.7270/Q22J69KC
					More data for this Ligand-Target Pair

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