Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM198128'   

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 (Homo sapiens (Human))	BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) Show SMILES CC(C)COc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C15H19N3OS/c1-11(2)9-19-14-8-13(16)17-15(18-14)20-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.95E+3	-32.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM198128 (4-amino-6-alkyloxy-2-benzylthiopyrimidines (5)) Show SMILES CC(C)COc1cc(N)nc(SCc2ccccc2)n1 Show InChI InChI=1S/C15H19N3OS/c1-11(2)9-19-14-8-13(16)17-15(18-14)20-10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	870	n/a	n/a	7.4	25
Università di Napoli Federico II					Assay Description Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...				Chem Biol Drug Des 88: 724-729 (2016) Article DOI: 10.1111/cbdd.12801 BindingDB Entry DOI: 10.7270/Q25M64JG
					More data for this Ligand-Target Pair