BDBM50335739 CHEMBL1650388::N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide

SMILES: CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1

InChI Key: InChIKey=HPHNCACRSQYJMW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50335739   

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))	BDBM50335739 (CHEMBL1650388 | N-2,6-dithiophen-2-yl)pyrimidin-4-...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1 Show InChI InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.8	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]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 A1 (Homo sapiens (Human))	BDBM50335739 (CHEMBL1650388 | N-2,6-dithiophen-2-yl)pyrimidin-4-...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1 Show InChI InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.9	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]DPCPX from human adenosine A1 receptor expressed in CHO 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))	BDBM50335739 (CHEMBL1650388 | N-2,6-dithiophen-2-yl)pyrimidin-4-...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1cccs1)-c1cccs1 Show InChI InChI=1S/C15H13N3OS2/c1-2-14(19)17-13-9-10(11-5-3-7-20-11)16-15(18-13)12-6-4-8-21-12/h3-9H,2H2,1H3,(H,16,17,18,19)	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	114	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