BDBM50531439 CHEMBL4442438

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

InChI Key: InChIKey=KWEBGHXFYXVDDZ-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 = 50531439   

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))	BDBM50531439 (CHEMBL4442438) Show SMILES Cc1csc2n(CCF)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C17H17FN2O2S/c1-12-11-23-16-14(12)15(21)19(17(22)20(16)10-8-18)9-7-13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	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