BDBM50531465 CHEMBL4441343

SMILES: Cc1csc2n(Cc3nccn3C)c(=O)n(CCc3ccccc3)c(=O)c12

InChI Key: InChIKey=ZOSREWVXQILDML-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50531465   

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 receptors; A2a & A2b (Homo sapiens (Human))	BDBM50531465 (CHEMBL4441343) Show SMILES Cc1csc2n(Cc3nccn3C)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C20H20N4O2S/c1-14-13-27-19-17(14)18(25)23(10-8-15-6-4-3-5-7-15)20(26)24(19)12-16-21-9-11-22(16)2/h3-7,9,11,13H,8,10,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045
					More data for this Ligand-Target Pair