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SMILES: Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1

InChI Key: InChIKey=BJPPZBFNKQTDEC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50011299   

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))	BDBM50011299 (CHEMBL3260731 | US9029393, 113) Show SMILES Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant adenosine receptor A2a				J Med Chem 57: 3623-50 (2014) Article DOI: 10.1021/jm4011669 BindingDB Entry DOI: 10.7270/Q28P621J
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50011299 (CHEMBL3260731 | US9029393, 113) Show SMILES Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kaldi Pharma, SAS US Patent					Assay Description Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass...				US Patent US9029393 (2015) BindingDB Entry DOI: 10.7270/Q2D50KQH
					More data for this Ligand-Target Pair