BDBM50531463 CHEMBL4516075

SMILES: COCCn1c2sc3CCCc3c2c(=O)n(CCc2ccccc2)c1=O

InChI Key: InChIKey=PNZZAWRNTIFJFO-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 = 50531463   

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))	BDBM50531463 (CHEMBL4516075) Show SMILES COCCn1c2sc3CCCc3c2c(=O)n(CCc2ccccc2)c1=O Show InChI InChI=1S/C20H22N2O3S/c1-25-13-12-22-19-17(15-8-5-9-16(15)26-19)18(23)21(20(22)24)11-10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	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