null

SMILES: CCOc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)cc1OC

InChI Key: InChIKey=PNLGKAIYTKSYNF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372573   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50372573 (CHEMBL270655) Show SMILES CCOc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)cc1OC Show InChI InChI=1S/C25H26N6O3/c1-5-34-20-10-9-18(13-21(20)33-4)14-24(32)27-22-15-23(31-17(3)12-16(2)30-31)29-25(28-22)19-8-6-7-11-26-19/h6-13,15H,5,14H2,1-4H3,(H,27,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50372573 (CHEMBL270655) Show SMILES CCOc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)cc1OC Show InChI InChI=1S/C25H26N6O3/c1-5-34-20-10-9-18(13-21(20)33-4)14-24(32)27-22-15-23(31-17(3)12-16(2)30-31)29-25(28-22)19-8-6-7-11-26-19/h6-13,15H,5,14H2,1-4H3,(H,27,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair