BDBM50531457 CHEMBL4449139

SMILES: CCN(CC)C(=O)c1sc2n(CCOC)c(=O)n(CCc3ccccc3)c(=O)c2c1C

InChI Key: InChIKey=ZXHOSMAENQERME-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 = 50531457   

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))	BDBM50531457 (CHEMBL4449139) Show SMILES CCN(CC)C(=O)c1sc2n(CCOC)c(=O)n(CCc3ccccc3)c(=O)c2c1C Show InChI InChI=1S/C23H29N3O4S/c1-5-24(6-2)21(28)19-16(3)18-20(27)25(13-12-17-10-8-7-9-11-17)23(29)26(14-15-30-4)22(18)31-19/h7-11H,5-6,12-15H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	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