Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453365'   

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))	BDBM50453365 (CHEMBL2113404) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1(O)CCCC1 |r| Show InChI InChI=1S/C19H24N6O5/c1-2-21-17(28)14-12(26)13(27)18(30-14)25-9-22-11-15(20)23-10(24-16(11)25)5-8-19(29)6-3-4-7-19/h9,12-14,18,26-27,29H,2-4,6-7H2,1H3,(H,21,28)(H2,20,23,24)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	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))	BDBM50453365 (CHEMBL2113404) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1(O)CCCC1 |r| Show InChI InChI=1S/C19H24N6O5/c1-2-21-17(28)14-12(26)13(27)18(30-14)25-9-22-11-15(20)23-10(24-16(11)25)5-8-19(29)6-3-4-7-19/h9,12-14,18,26-27,29H,2-4,6-7H2,1H3,(H,21,28)(H2,20,23,24)/t12-,13+,14-,18+/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	475	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Negative chronotropic activity for A1 Adenosine receptor 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