Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50156628'   

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))	BDBM50156628 ((R)-2-furan-2-yl-7-(hexahydropyrrolo[1,2-a]pyrazin...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r| Show InChI InChI=1S/C16H19N7O/c17-16-19-13(22-7-6-21-5-1-3-11(21)10-22)9-14-18-15(20-23(14)16)12-4-2-8-24-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat recombinant adenosine A1 receptor				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50156628 ((R)-2-furan-2-yl-7-(hexahydropyrrolo[1,2-a]pyrazin...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r| Show InChI InChI=1S/C16H19N7O/c17-16-19-13(22-7-6-21-5-1-3-11(21)10-22)9-14-18-15(20-23(14)16)12-4-2-8-24-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114378 BindingDB Entry DOI: 10.7270/Q2377DQ0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50156628 ((R)-2-furan-2-yl-7-(hexahydropyrrolo[1,2-a]pyrazin...) Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N1CCN2CCC[C@@H]2C1 |r| Show InChI InChI=1S/C16H19N7O/c17-16-19-13(22-7-6-21-5-1-3-11(21)10-22)9-14-18-15(20-23(14)16)12-4-2-8-24-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane				J Med Chem 47: 6218-29 (2004) Article DOI: 10.1021/jm0494321 BindingDB Entry DOI: 10.7270/Q20V8DM9
					More data for this Ligand-Target Pair