Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50138545'   

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))	BDBM50138545 ((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand				J Med Chem 38: 4000-6 (1995) BindingDB Entry DOI: 10.7270/Q2W37WZP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50138545 ((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity against rat Adenosine A1 receptor				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50138545 ((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand				J Med Chem 38: 4000-6 (1995) BindingDB Entry DOI: 10.7270/Q2W37WZP
					More data for this Ligand-Target Pair