BDBM50335741 CHEMBL1650393::N-2,6-dithiophen-3-yl)pyrimidin-4-yl)acetamide

SMILES: CC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1

InChI Key: InChIKey=QGULJVNBUHGCQB-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50335741   

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 receptor A3 (Homo sapiens (Human))	BDBM50335741 (CHEMBL1650393 | N-2,6-dithiophen-3-yl)pyrimidin-4-...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1 Show InChI InChI=1S/C14H11N3OS2/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50335741 (CHEMBL1650393 | N-2,6-dithiophen-3-yl)pyrimidin-4-...) Show SMILES CC(=O)Nc1cc(nc(n1)-c1ccsc1)-c1ccsc1 Show InChI InChI=1S/C14H11N3OS2/c1-9(18)15-13-6-12(10-2-4-19-7-10)16-14(17-13)11-3-5-20-8-11/h2-8H,1H3,(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting				J Med Chem 54: 457-71 (2011) Article DOI: 10.1021/jm100843z BindingDB Entry DOI: 10.7270/Q28P60SK
					More data for this Ligand-Target Pair