Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50454901'   

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))	BDBM50454901 (CHEMBL2113469) Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454901 (CHEMBL2113469) Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454901 (CHEMBL2113469) Show SMILES CC(C)CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C19H29N5O3S/c1-11(2)7-28-8-13-15(25)16(26)19(27-13)24-10-22-14-17(20-9-21-18(14)24)23-12-5-3-4-6-12/h9-13,15-16,19,25-26H,3-8H2,1-2H3,(H,20,21,23)/t13-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranes				J Med Chem 41: 102-8 (1998) Article DOI: 10.1021/jm970508l BindingDB Entry DOI: 10.7270/Q2MK6DKX
					More data for this Ligand-Target Pair