Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453361'   

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))	BDBM50453361 (CHEMBL2113411) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1CCCCC1 |r| Show InChI InChI=1S/C20H26N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h10-11,14-16,20,27-28H,2-7H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	236	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))	BDBM50453361 (CHEMBL2113411) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC1CCCCC1 |r| Show InChI InChI=1S/C20H26N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h10-11,14-16,20,27-28H,2-7H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/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	>1.00E+4	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