BDBM50335708 CHEMBL1650350::N-2,6-di-p-tolylpyrimidin-4-yl)propionamide

SMILES: CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1

InChI Key: InChIKey=MVIHDQSVKBDTMN-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 = 50335708   

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))	BDBM50335708 (CHEMBL1650350 | N-2,6-di-p-tolylpyrimidin-4-yl)pro...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C21H21N3O/c1-4-20(25)23-19-13-18(16-9-5-14(2)6-10-16)22-21(24-19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.3	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))	BDBM50335708 (CHEMBL1650350 | N-2,6-di-p-tolylpyrimidin-4-yl)pro...) Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C21H21N3O/c1-4-20(25)23-19-13-18(16-9-5-14(2)6-10-16)22-21(24-19)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.9	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