Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50060835'   

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))	BDBM50060835 (CHEMBL121997 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c30-11-16-18(28-17(31)10-14-6-2-1-3-7-14)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-15-8-4-5-9-15/h1-3,6-7,12-13,15-16,18,20,23,30,32H,4-5,8-11H2,(H,28,31)(H,24,25,27)/t16?,18-,20?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50060835 (CHEMBL121997 | N-[(R)-5-(6-Cyclopentylamino-purin-...) Show SMILES OCC1OC(C(O)[C@H]1NC(=O)Cc1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C23H28N6O4/c30-11-16-18(28-17(31)10-14-6-2-1-3-7-14)20(32)23(33-16)29-13-26-19-21(24-12-25-22(19)29)27-15-8-4-5-9-15/h1-3,6-7,12-13,15-16,18,20,23,30,32H,4-5,8-11H2,(H,28,31)(H,24,25,27)/t16?,18-,20?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair