BDBM50531437 CHEMBL4474572

SMILES: Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3)c(=O)c12

InChI Key: InChIKey=KZJHKOMTKKDZJJ-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 = 50531437   

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))	BDBM50531437 (CHEMBL4474572) Show SMILES Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3)c(=O)c12 Show InChI InChI=1S/C18H17F3N2O2S/c1-12-11-26-16-14(12)15(24)22(9-7-13-5-3-2-4-6-13)17(25)23(16)10-8-18(19,20)21/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	56	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