null

SMILES: CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC

InChI Key: InChIKey=SIFGOPVTYSLYLX-CQSZACIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50255246   

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))	BDBM50255246 (CHEMBL469488 | N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(...) Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC |r| Show InChI InChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50255246 (CHEMBL469488 | N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(...) Show SMILES CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC |r| Show InChI InChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	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]DPCPX from human adenosine A1 receptor expressed in HEK293 cells				J Med Chem 52: 709-17 (2009) Article DOI: 10.1021/jm800908d BindingDB Entry DOI: 10.7270/Q2PG1RKR
					More data for this Ligand-Target Pair