null

SMILES: COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1

InChI Key: InChIKey=KLCCTLLKMMFGQK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50375492   

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 A1 (Homo sapiens (Human))	BDBM50375492 (CHEMBL408911) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c1-31-20-14-12-19(13-15-20)24(30)29-25-27-22(17-8-4-2-5-9-17)21(16-26)23(28-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50375492 (CHEMBL408911) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c1-31-20-14-12-19(13-15-20)24(30)29-25-27-22(17-8-4-2-5-9-17)21(16-26)23(28-25)18-10-6-3-7-11-18/h2-15H,1H3,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem 16: 2741-52 (2008) Article DOI: 10.1016/j.bmc.2008.01.013 BindingDB Entry DOI: 10.7270/Q2K35VHW
					More data for this Ligand-Target Pair