Compile Data Set for Download or QSAR

Found 1539 hits with Last Name = 'giannini' 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 A1 (BOVINE)	BDBM50196014 (3-(2-(trifluoromethyl)benzyl)-N-cyclopentyl-5-phen...) Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H21F3N6/c24-23(25,26)18-13-7-4-10-16(18)14-32-22-19(30-31-32)21(27-17-11-5-6-12-17)28-20(29-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196002 (3-(2-fluorobenzyl)-N-cyclohexyl-5-phenyl-3H-[1,2,3...) Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H23FN6/c24-19-14-8-7-11-17(19)15-30-23-20(28-29-30)22(25-18-12-5-2-6-13-18)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196009 (3-benzyl-N-cyclohexyl-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES C(c1ccccc1)n1nnc2c(NC3CCCCC3)cc(nc12)-c1ccccc1 Show InChI InChI=1S/C24H25N5/c1-4-10-18(11-5-1)17-29-24-23(27-28-29)22(25-20-14-8-3-9-15-20)16-21(26-24)19-12-6-2-7-13-19/h1-2,4-7,10-13,16,20H,3,8-9,14-15,17H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195990 (3-(2-fluorobenzyl)-5-phenyl-N-propyl-3H-[1,2,3]tri...) Show SMILES CCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19FN6/c1-2-12-22-19-17-20(24-18(23-19)14-8-4-3-5-9-14)27(26-25-17)13-15-10-6-7-11-16(15)21/h3-11H,2,12-13H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195996 (3-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19FN6O/c21-16-10-5-4-9-15(16)13-27-20-17(25-26-27)19(22-11-6-12-28)23-18(24-20)14-7-2-1-3-8-14/h1-5,7-10,28H,6,11-13H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196018 (3-(2-fluorobenzyl)-N-butyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C21H21FN6/c1-2-3-13-23-20-18-21(25-19(24-20)15-9-5-4-6-10-15)28(27-26-18)14-16-11-7-8-12-17(16)22/h4-12H,2-3,13-14H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195995 (1-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19FN6O/c1-13(28)11-22-19-17-20(24-18(23-19)14-7-3-2-4-8-14)27(26-25-17)12-15-9-5-6-10-16(15)21/h2-10,13,28H,11-12H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195992 (3-benzyl-N-cyclobutyl-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES C(c1ccccc1)n1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H20N6/c1-3-8-15(9-4-1)14-27-21-18(25-26-27)20(22-17-12-7-13-17)23-19(24-21)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196015 (3-(2-(trifluoromethyl)benzyl)-N-butyl-5-phenyl-3H-...) Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1 Show InChI InChI=1S/C22H21F3N6/c1-2-3-13-26-20-18-21(28-19(27-20)15-9-5-4-6-10-15)31(30-29-18)14-16-11-7-8-12-17(16)22(23,24)25/h4-12H,2-3,13-14H2,1H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196003 (3-(2-fluorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...) Show SMILES Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H21FN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196030 (3-(2-(trifluoromethyl)benzyl)-N-cyclohexyl-5-pheny...) Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C24H23F3N6/c25-24(26,27)19-14-8-7-11-17(19)15-33-23-20(31-32-33)22(28-18-12-5-2-6-13-18)29-21(30-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195999 (1-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyri...) Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H20N6O/c1-14(27)12-21-19-17-20(23-18(22-19)16-10-6-3-7-11-16)26(25-24-17)13-15-8-4-2-5-9-15/h2-11,14,27H,12-13H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196020 (3-(2-(trifluoromethyl)benzyl)-N-cyclopropyl-5-phen...) Show SMILES FC(F)(F)c1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H17F3N6/c22-21(23,24)16-9-5-4-8-14(16)12-30-20-17(28-29-30)19(25-15-10-11-15)26-18(27-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196011 (3-(2-chlorobenzyl)-N-cyclopentyl-5-phenyl-3H-[1,2,...) Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H21ClN6/c23-18-13-7-4-10-16(18)14-29-22-19(27-28-29)21(24-17-11-5-6-12-17)25-20(26-22)15-8-2-1-3-9-15/h1-4,7-10,13,17H,5-6,11-12,14H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195997 (3-(2-chlorobenzyl)-N-cyclopropyl-5-phenyl-3H-[1,2,...) Show SMILES Clc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C20H17ClN6/c21-16-9-5-4-8-14(16)12-27-20-17(25-26-27)19(22-15-10-11-15)23-18(24-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196012 (3-benzyl-N-butyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d...) Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C21H22N6/c1-2-3-14-22-20-18-21(24-19(23-20)17-12-8-5-9-13-17)27(26-25-18)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196022 (3-benzyl-N-cyclopentyl-5-phenyl-3H-[1,2,3]triazolo...) Show SMILES C(c1ccccc1)n1nnc2c(NC3CCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C22H22N6/c1-3-9-16(10-4-1)15-28-22-19(26-27-28)21(23-18-13-7-8-14-18)24-20(25-22)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196010 (3-(2-fluorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H17FN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195994 (3-benzyl-N-cyclopropyl-5-phenyl-3H-[1,2,3]triazolo...) Show SMILES C(c1ccccc1)n1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C20H18N6/c1-3-7-14(8-4-1)13-26-20-17(24-25-26)19(21-16-11-12-16)22-18(23-20)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196023 (3-benzyl-N-hexyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d...) Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H26N6/c1-2-3-4-11-16-24-22-20-23(26-21(25-22)19-14-9-6-10-15-19)29(28-27-20)17-18-12-7-5-8-13-18/h5-10,12-15H,2-4,11,16-17H2,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196026 (3-(2-(trifluoromethyl)benzyl)-N-methyl-5-phenyl-3H...) Show SMILES CNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H15F3N6/c1-23-17-15-18(25-16(24-17)12-7-3-2-4-8-12)28(27-26-15)11-13-9-5-6-10-14(13)19(20,21)22/h2-10H,11H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195998 (3-(2-fluorobenzyl)-N-cyclopropyl-5-phenyl-3H-[1,2,...) Show SMILES Fc1ccccc1Cn1nnc2c(NC3CC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C20H17FN6/c21-16-9-5-4-8-14(16)12-27-20-17(25-26-27)19(22-15-10-11-15)23-18(24-20)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196007 (3-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyri...) Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H20N6O/c27-13-7-12-21-19-17-20(23-18(22-19)16-10-5-2-6-11-16)26(25-24-17)14-15-8-3-1-4-9-15/h1-6,8-11,27H,7,12-14H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195993 (3-(2-chlorobenzyl)-N-cyclobutyl-5-phenyl-3H-[1,2,3...) Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C21H19ClN6/c22-17-12-5-4-9-15(17)13-28-21-18(26-27-28)20(23-16-10-6-11-16)24-19(25-21)14-7-2-1-3-8-14/h1-5,7-9,12,16H,6,10-11,13H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196019 (3-(2-fluorobenzyl)-N-methyl-5-phenyl-3H-[1,2,3]tri...) Show SMILES CNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C18H15FN6/c1-20-17-15-18(22-16(21-17)12-7-3-2-4-8-12)25(24-23-15)11-13-9-5-6-10-14(13)19/h2-10H,11H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196024 (3-(2-fluorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H25FN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196016 (3-(2-chlorobenzyl)-N-hexyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCCCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C23H25ClN6/c1-2-3-4-10-15-25-22-20-23(27-21(26-22)17-11-6-5-7-12-17)30(29-28-20)16-18-13-8-9-14-19(18)24/h5-9,11-14H,2-4,10,15-16H2,1H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196013 (1-(3-(2-chlorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES CC(O)CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19ClN6O/c1-13(28)11-22-19-17-20(24-18(23-19)14-7-3-2-4-8-14)27(26-25-17)12-15-9-5-6-10-16(15)21/h2-10,13,28H,11-12H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196029 (3-(3-(2-chlorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19ClN6O/c21-16-10-5-4-9-15(16)13-27-20-17(25-26-27)19(22-11-6-12-28)23-18(24-20)14-7-2-1-3-8-14/h1-5,7-10,28H,6,11-13H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196006 (3-(2-chlorobenzyl)-N-cyclohexyl-5-phenyl-3H-[1,2,3...) Show SMILES Clc1ccccc1Cn1nnc2c(NC3CCCCC3)nc(nc12)-c1ccccc1 Show InChI InChI=1S/C23H23ClN6/c24-19-14-8-7-11-17(19)15-30-23-20(28-29-30)22(25-18-12-5-2-6-13-18)26-21(27-23)16-9-3-1-4-10-16/h1,3-4,7-11,14,18H,2,5-6,12-13,15H2,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196025 (3-benzyl-5-phenyl-N-propyl-3H-[1,2,3]triazolo[4,5-...) Show SMILES CCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H20N6/c1-2-13-21-19-17-20(23-18(22-19)16-11-7-4-8-12-16)26(25-24-17)14-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196000 (2-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyri...) Show SMILES OCCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H18N6O/c26-12-11-20-18-16-19(22-17(21-18)15-9-5-2-6-10-15)25(24-23-16)13-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196005 (2-(3-(2-fluorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES OCCNc1nc(nc2n(Cc3ccccc3F)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H17FN6O/c20-15-9-5-4-8-14(15)12-26-19-16(24-25-26)18(21-10-11-27)22-17(23-19)13-6-2-1-3-7-13/h1-9,27H,10-12H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196008 (3-(2-chlorobenzyl)-N-butyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C21H21ClN6/c1-2-3-13-23-20-18-21(25-19(24-20)15-9-5-4-6-10-15)28(27-26-18)14-16-11-7-8-12-17(16)22/h4-12H,2-3,13-14H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196004 (3-benzyl-N-ethyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d...) Show SMILES CCNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H18N6/c1-2-20-18-16-19(22-17(21-18)15-11-7-4-8-12-15)25(24-23-16)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196027 (3-(2-chlorobenzyl)-5-phenyl-N-propyl-3H-[1,2,3]tri...) Show SMILES CCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C20H19ClN6/c1-2-12-22-19-17-20(24-18(23-19)14-8-4-3-5-9-14)27(26-25-17)13-15-10-6-7-11-16(15)21/h3-11H,2,12-13H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196028 (2-(3-(2-chlorobenzyl)-5-phenyl-3H-[1,2,3]triazolo[...) Show SMILES OCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H17ClN6O/c20-15-9-5-4-8-14(15)12-26-19-16(24-25-26)18(21-10-11-27)22-17(23-19)13-6-2-1-3-7-13/h1-9,27H,10-12H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50195991 (3-(3-(2-(trifluoromethyl)benzyl)-5-phenyl-3H-[1,2,...) Show SMILES OCCCNc1nc(nc2n(Cc3ccccc3C(F)(F)F)nnc12)-c1ccccc1 Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)16-10-5-4-9-15(16)13-30-20-17(28-29-30)19(25-11-6-12-31)26-18(27-20)14-7-2-1-3-8-14/h1-5,7-10,31H,6,11-13H2,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196017 (3-(2-chlorobenzyl)-N-methyl-5-phenyl-3H-[1,2,3]tri...) Show SMILES CNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C18H15ClN6/c1-20-17-15-18(22-16(21-17)12-7-3-2-4-8-12)25(24-23-15)11-13-9-5-6-10-14(13)19/h2-10H,11H2,1H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196001 (3-benzyl-N-methyl-5-phenyl-3H-[1,2,3]triazolo[4,5-...) Show SMILES CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C18H16N6/c1-19-17-15-18(21-16(20-17)14-10-6-3-7-11-14)24(23-22-15)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50196021 (3-(2-chlorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]tria...) Show SMILES CCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)-c1ccccc1 Show InChI InChI=1S/C19H17ClN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	463	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Heparanase (Mus musculus)	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of mouse B16-BL6 cells derived heparanase using [3H]HS as substrate after 6 hrs by size exclusion chromatography based liquid scintillatio...				Bioorg Med Chem Lett 27: 4421-4425 (2017) Article DOI: 10.1016/j.bmcl.2017.08.013 BindingDB Entry DOI: 10.7270/Q2WD434C
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50392279 (CHEMBL2153647) Show SMILES [#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1cccc(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccc(cc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C28H34N6O7/c35-24(10-9-23(26(38)39)32-28(40)41-18-19-5-7-20(8-6-19)25(36)37)34-15-13-33(14-16-34)22-4-1-3-21(17-22)31-27-29-11-2-12-30-27/h1,3-8,17,23H,2,9-16,18H2,(H,32,40)(H,36,37)(H,38,39)(H2,29,30,31)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a	n/a
sigma-tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alpha5beta3 after 3 hrs by gamma counter				Bioorg Med Chem Lett 22: 6509-12 (2012) Article DOI: 10.1016/j.bmcl.2012.07.061 BindingDB Entry DOI: 10.7270/Q2GM88DW
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from AlphaVbeta5 integrin receptor				J Med Chem 49: 1808-17 (2006) Article DOI: 10.1021/jm0511334 BindingDB Entry DOI: 10.7270/Q2G160FD
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308730 (4-((2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H38N8O9/c28-27(29)30-11-5-9-16-23(41)31-14-20(36)32-19(13-22(39)40)26(44)35-18(12-15-6-2-1-3-7-15)25(43)34-17(24(42)33-16)8-4-10-21(37)38/h1-3,6-7,16-19H,4-5,8-14H2,(H,31,41)(H,32,36)(H,33,42)(H,34,43)(H,35,44)(H,37,38)(H,39,40)(H4,28,29,30)/t16-,17-,18+,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308728 (1-(4-((5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](-[#8])=O)cc1 |r| Show InChI InChI=1S/C38H51N9O13/c39-38(40)41-12-4-7-26-34(54)43-20-29(48)44-28(18-31(50)51)35(55)46-27(17-23-5-2-1-3-6-23)36(56)47-33(37(57)45-26)25-10-8-24(9-11-25)19-42-30(49)21-59-15-13-58-14-16-60-22-32(52)53/h1-3,5-6,8-11,26-28,33H,4,7,12-22H2,(H,42,49)(H,43,54)(H,44,48)(H,45,57)(H,46,55)(H,47,56)(H,50,51)(H,52,53)(H4,39,40,41)/t26-,27+,28-,33?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50308726 (2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...) Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]/[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6@@H]-4-[#7]-[#6](=O)-[#6@@H](-[#6]-c5ccccc5)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-4=O)c3-[#6]-n1c2=O |r| Show InChI InChI=1S/C50H58N12O13/c1-2-50(73)32-21-38-42-30(25-62(38)47(71)31(32)26-74-48(50)72)29(28-12-6-7-13-33(28)58-42)23-56-75-19-18-53-39(63)16-8-14-35-44(68)59-34(15-9-17-54-49(51)52)43(67)55-24-40(64)57-37(22-41(65)66)46(70)61-36(45(69)60-35)20-27-10-4-3-5-11-27/h3-7,10-13,21,23,34-37,73H,2,8-9,14-20,22,24-26H2,1H3,(H,53,63)(H,55,67)(H,57,64)(H,59,68)(H,60,69)(H,61,70)(H,65,66)(H4,51,52,54)/b56-23-/t34-,35-,36+,37-,50-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting				Bioorg Med Chem 18: 64-72 (2010) Article DOI: 10.1016/j.bmc.2009.11.019 BindingDB Entry DOI: 10.7270/Q2FF3SG2
					More data for this Ligand-Target Pair

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