Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM474223'   

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))	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W099V1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair