Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM474337'   

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))	BDBM474337 (7-(azetidin-l-yl)-2-(2,6-difluorobenzyl)-8-(3-met ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCC1 Show InChI InChI=1S/C23H20F2N8/c1-13-11-27-19-7-6-14(12-32(13)19)20-21(31-8-3-9-31)29-23(26)33-22(20)28-18(30-33)10-15-16(24)4-2-5-17(15)25/h2,4-7,11-12H,3,8-10H2,1H3,(H2,26,29)	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	0.100	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)	BDBM474337 (7-(azetidin-l-yl)-2-(2,6-difluorobenzyl)-8-(3-met ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCC1 Show InChI InChI=1S/C23H20F2N8/c1-13-11-27-19-7-6-14(12-32(13)19)20-21(31-8-3-9-31)29-23(26)33-22(20)28-18(30-33)10-15-16(24)4-2-5-17(15)25/h2,4-7,11-12H,3,8-10H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	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