BDBM50531476 CHEMBL4538262

SMILES: COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)C1CC1

InChI Key: InChIKey=FVZUSAQJMCBGOW-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 = 50531476   

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))	BDBM50531476 (CHEMBL4538262) Show SMILES COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)C1CC1 Show InChI InChI=1S/C23H28N2O4S/c1-15-18-20(26)24(12-11-16-7-5-4-6-8-16)22(27)25(13-14-29-3)21(18)30-19(15)23(2,28)17-9-10-17/h4-8,17,28H,9-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	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