BDBM50531451 CHEMBL4462879

SMILES: CCN(CCO)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C

InChI Key: InChIKey=MLTMMDWUENLCIW-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 = 50531451   

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))	BDBM50531451 (CHEMBL4462879) Show SMILES CCN(CCO)C(=O)c1sc2n(CCC(F)(F)F)c(=O)n(CC)c(=O)c2c1C Show InChI InChI=1S/C17H22F3N3O4S/c1-4-21(8-9-24)14(26)12-10(3)11-13(25)22(5-2)16(27)23(15(11)28-12)7-6-17(18,19)20/h24H,4-9H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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