Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 6428   

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))	BDBM128311 (US8796284, 93) Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1 Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	12	-47.0	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128295 (US8796284, 1) Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1 Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	25	-45.1	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128302 (US8796284, 13) Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1 Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50	-43.3	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM128299 (US8796284, 8) Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1 Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	60	-42.9	n/a	n/a	n/a	n/a	n/a	n/a	37
Palobiofarma, S.L. US Patent					Assay Description hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...				US Patent US8796284 (2014) BindingDB Entry DOI: 10.7270/Q2WM1C2Q
					More data for this Ligand-Target Pair