Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'quinn' and Initial = 'rj'   

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 A1 (Rattus norvegicus (rat))	BDBM50053947 (2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...) Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA binding from A1 receptor in whole rat brain membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053947 (2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...) Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.745	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053941 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.939	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053943 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053944 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C15H16N6OS/c1-2-11(13(17)22)23-15-19-12(16)10-8-18-21(14(10)20-15)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,22)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053938 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H18N6OS/c1-9(2)12(14(18)23)24-16-20-13(17)11-8-19-22(15(11)21-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A1 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011840 (1-Methyl-8-phenyl-3-propyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A1 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053948 (2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CCCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H21N5OS2/c1-3-4-10-14(15(19)24)26-18-21-16-13(17(22-18)25-2)11-20-23(16)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011834 (3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A1 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053937 (2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CCCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H19N5OS2/c1-3-7-13(14(18)23)25-17-20-15-12(16(21-17)24-2)10-19-22(15)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H2,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053940 (2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285553 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C15H16N6OS/c1-2-17-12(22)9-23-15-19-13(16)11-8-18-21(14(11)20-15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,22)(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053945 (3-Methyl-2-(4-methylsulfanyl-1-phenyl-1H-pyrazolo[...) Show SMILES CSc1nc(SC(C(C)C)C(N)=O)nc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C17H19N5OS2/c1-10(2)13(14(18)23)25-17-20-15-12(16(21-17)24-3)9-19-22(15)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H2,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285555 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053943 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H18N6OS/c1-2-6-12(14(18)23)24-16-20-13(17)11-9-19-22(15(11)21-16)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,18,23)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053939 (2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C17H19N5OS2/c1-2-3-9-13(14(18)23)25-17-20-15-12(16(24)21-17)10-19-22(15)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,18,23)(H,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053944 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C15H16N6OS/c1-2-11(13(17)22)23-15-19-12(16)10-8-18-21(14(10)20-15)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,22)(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285555 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C13H12N6OS/c14-10(20)7-21-13-17-11(15)9-6-16-19(12(9)18-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,20)(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50096363 ((S)-2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidi...) Show SMILES C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C14H15N7O/c1-8(12(16)22)18-14-19-11(15)10-7-17-21(13(10)20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,22)(H3,15,18,19,20)/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA (Kd, 1 nM) binding from Adenosine A1 receptor in whole rat brain membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053946 (2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C16H17N5OS2/c1-2-6-12(13(17)22)24-16-19-14-11(15(23)20-16)9-18-21(14)10-7-4-3-5-8-10/h3-5,7-9,12H,2,6H2,1H3,(H2,17,22)(H,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A1 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50096364 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C14H15N7O/c1-8(12(16)22)18-14-19-11(15)10-7-17-21(13(10)20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,22)(H3,15,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA (Kd, 1 nM) binding from Adenosine A1 receptor in whole rat brain membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053941 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCCCC(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H20N6OS/c1-2-3-9-13(15(19)24)25-17-21-14(18)12-10-20-23(16(12)22-17)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H2,19,24)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50269766 (CHEMBL455257 | dysinosin B) Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8]-[#6@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:48| Show InChI InChI=1S/C31H52N6O15S/c1-14(2)23(35-28(44)22(49-3)13-50-53(46,47)48)29(45)37-17-10-20(51-30-26(42)25(41)24(40)21(12-38)52-30)19(39)9-16(17)8-18(37)27(43)34-6-4-15-5-7-36(11-15)31(32)33/h5,14,16-26,30,38-42H,4,6-13H2,1-3H3,(H6,32,33,34,35,43,44,46,47,48)/t16-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of factor 7a (unknown origin) by spectrophotometric assay				J Nat Prod 67: 1291-4 (2004) Article DOI: 10.1021/np049968p BindingDB Entry DOI: 10.7270/Q2SX6D09
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011840 (1-Methyl-8-phenyl-3-propyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A2 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50269776 (CHEMBL502639 | Dysinosin A) Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:37| Show InChI InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/t16-,17-,18+,19+,20+,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of factor 7a (unknown origin) by spectrophotometric assay				J Nat Prod 67: 1291-4 (2004) Article DOI: 10.1021/np049968p BindingDB Entry DOI: 10.7270/Q2SX6D09
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82025 (1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A2 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50269767 (CHEMBL508298 | dysinosin C) Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:36| Show InChI InChI=1S/C25H42N6O10S/c1-13(2)21(29-23(35)20(40-3)12-41-42(37,38)39)24(36)31-16-10-19(33)18(32)9-15(16)8-17(31)22(34)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-33H,4,6-12H2,1-3H3,(H6,26,27,28,29,34,35,37,38,39)/t15-,16+,17+,18+,19+,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of factor 7a (unknown origin) by spectrophotometric assay				J Nat Prod 67: 1291-4 (2004) Article DOI: 10.1021/np049968p BindingDB Entry DOI: 10.7270/Q2SX6D09
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50285553 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C15H16N6OS/c1-2-17-12(22)9-23-15-19-13(16)11-8-18-21(14(11)20-15)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,17,22)(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50025708 (2-[6-(1-Carbamoyl-ethylsulfanyl)-1-phenyl-1H-pyraz...) Show SMILES CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053938 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CC(C)C(Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H18N6OS/c1-9(2)12(14(18)23)24-16-20-13(17)11-8-19-22(15(11)21-16)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,18,23)(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053942 (2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCC(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C15H15N5OS2/c1-2-11(12(16)21)23-15-18-13-10(14(22)19-15)8-17-20(13)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,16,21)(H,18,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269766 (CHEMBL455257 | dysinosin B) Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8]-[#6@H]-3-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-3-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:48| Show InChI InChI=1S/C31H52N6O15S/c1-14(2)23(35-28(44)22(49-3)13-50-53(46,47)48)29(45)37-17-10-20(51-30-26(42)25(41)24(40)21(12-38)52-30)19(39)9-16(17)8-18(37)27(43)34-6-4-15-5-7-36(11-15)31(32)33/h5,14,16-26,30,38-42H,4,6-13H2,1-3H3,(H6,32,33,34,35,43,44,46,47,48)/t16-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) by spectrophotometric assay				J Nat Prod 67: 1291-4 (2004) Article DOI: 10.1021/np049968p BindingDB Entry DOI: 10.7270/Q2SX6D09
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50025708 (2-[6-(1-Carbamoyl-ethylsulfanyl)-1-phenyl-1H-pyraz...) Show SMILES CC(Sc1nc(SC(C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053947 (2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimi...) Show SMILES CCCCC(Sc1nc(NC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C18H22N6OS/c1-3-4-10-14(15(19)25)26-18-22-16(20-2)13-11-21-24(17(13)23-18)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,25)(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50053949 (2-(4-Mercapto-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CC(C)C(Sc1nc2n(ncc2c(=S)[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C16H17N5OS2/c1-9(2)12(13(17)22)24-16-19-14-11(15(23)20-16)8-18-21(14)10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H2,17,22)(H,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269776 (CHEMBL502639 | Dysinosin A) Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:37| Show InChI InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/t16-,17-,18+,19+,20+,21+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	452	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) by spectrophotometric assay				J Nat Prod 67: 1291-4 (2004) Article DOI: 10.1021/np049968p BindingDB Entry DOI: 10.7270/Q2SX6D09
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50096365 ((R)-2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidi...) Show SMILES C[C@@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C14H15N7O/c1-8(12(16)22)18-14-19-11(15)10-7-17-21(13(10)20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,22)(H3,15,18,19,20)/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA (Kd, 1 nM) binding from Adenosine A1 receptor in whole rat brain membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50269767 (CHEMBL508298 | dysinosin C) Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:36| Show InChI InChI=1S/C25H42N6O10S/c1-13(2)21(29-23(35)20(40-3)12-41-42(37,38)39)24(36)31-16-10-19(33)18(32)9-15(16)8-17(31)22(34)28-6-4-14-5-7-30(11-14)25(26)27/h5,13,15-21,32-33H,4,6-12H2,1-3H3,(H6,26,27,28,29,34,35,37,38,39)/t15-,16+,17+,18+,19+,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) by spectrophotometric assay				J Nat Prod 67: 1291-4 (2004) Article DOI: 10.1021/np049968p BindingDB Entry DOI: 10.7270/Q2SX6D09
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285552 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CCNC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	551	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011834 (3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A2 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50366574 (CHEMBL609646) Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c3N[C@H](Cn3c(=N)nc12)c1ccccc1 |r| Show InChI InChI=1S/C18H20N6O4/c19-18-22-16-12(15-21-10(6-23(15)18)9-4-2-1-3-5-9)20-8-24(16)17-14(27)13(26)11(7-25)28-17/h1-5,8,10-11,13-14,17,19,21,25-27H,6-7H2/t10-,11+,13+,14+,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA				Bioorg Med Chem Lett 8: 691-4 (1999) BindingDB Entry DOI: 10.7270/Q21Z44Z9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50004713 ((R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imi...) Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](Cc3ccccc3)CN12 |t:4,19| Show InChI InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(15-24-28(22)19-11-7-4-8-12-19)21-25-18(16-27(21)23)14-17-9-5-3-6-10-17/h3-12,15,18H,2,13-14,16H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Binding affinity for rat brain Adenosine A1 receptor				Bioorg Med Chem Lett 8: 695-8 (1999) BindingDB Entry DOI: 10.7270/Q2X63NGB
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Rattus norvegicus-Rattus norvegicus (rat))	BDBM82015 (1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1 Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	644	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity towards adenosine A2 receptor				Bioorg Med Chem Lett 2: 1199-1200 (1992) Article DOI: 10.1016/S0960-894X(00)80213-9 BindingDB Entry DOI: 10.7270/Q2NS0TT4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50096363 ((S)-2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidi...) Show SMILES C[C@H](Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C14H15N7O/c1-8(12(16)22)18-14-19-11(15)10-7-17-21(13(10)20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,22)(H3,15,18,19,20)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	648	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 (Kd, 14.9 nM) from A2A receptor in rat striatal membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50053940 (2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	796	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor of rat striatal membranes				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50096364 (2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES CC(Nc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C14H15N7O/c1-8(12(16)22)18-14-19-11(15)10-7-17-21(13(10)20-14)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,22)(H3,15,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 (Kd, 14.9 nM) from A2A receptor in rat striatal membranes				Bioorg Med Chem Lett 11: 191-3 (2001) BindingDB Entry DOI: 10.7270/Q23F4NW2
					More data for this Ligand-Target Pair

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