Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM474314'   

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 A2a (Homo sapiens (Human))	BDBM474314 ((R)-7-(4-fluorophenyl)-8-(1-methyl-1H-benzo[d] imi...) Show SMILES CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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 A2a (Mus musculus)	BDBM474314 ((R)-7-(4-fluorophenyl)-8-(1-methyl-1H-benzo[d] imi...) Show SMILES CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	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