Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50453359'   

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))	BDBM50453359 (CHEMBL2113409) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)CC |r| Show InChI InChI=1S/C17H22N6O5/c1-3-8(24)5-6-9-21-14(18)10-15(22-9)23(7-20-10)17-12(26)11(25)13(28-17)16(27)19-4-2/h7-8,11-13,17,24-26H,3-4H2,1-2H3,(H,19,27)(H2,18,21,22)/t8?,11-,12+,13-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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 A1 Adenosine receptor in rat brain using [3H]CHA				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))	BDBM50453359 (CHEMBL2113409) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)CC |r| Show InChI InChI=1S/C17H22N6O5/c1-3-8(24)5-6-9-21-14(18)10-15(22-9)23(7-20-10)17-12(26)11(25)13(28-17)16(27)19-4-2/h7-8,11-13,17,24-26H,3-4H2,1-2H3,(H,19,27)(H2,18,21,22)/t8?,11-,12+,13-,17+/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	153	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