Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453349'   

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))	BDBM50453349 (CHEMBL2113483) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCO |r| Show InChI InChI=1S/C15H18N6O5/c1-2-17-14(25)11-9(23)10(24)15(26-11)21-6-18-8-12(16)19-7(4-3-5-22)20-13(8)21/h6,9-11,15,22-24H,2,5H2,1H3,(H,17,25)(H2,16,19,20)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand				J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453349 (CHEMBL2113483) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCO |r| Show InChI InChI=1S/C15H18N6O5/c1-2-17-14(25)11-9(23)10(24)15(26-11)21-6-18-8-12(16)19-7(4-3-5-22)20-13(8)21/h6,9-11,15,22-24H,2,5H2,1H3,(H,17,25)(H2,16,19,20)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	84	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria				J Med Chem 37: 1720-6 (1994) BindingDB Entry DOI: 10.7270/Q2RX9CQ4
					More data for this Ligand-Target Pair