BDBM50335750 CHEMBL1650402::N-(4,6-diphenylpyrimidin-2-yl)-3,3-dimethylbutanamide

SMILES: CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=AOKSLNJGKPKMQZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50335750   

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 A1 (Homo sapiens (Human))	BDBM50335750 (CHEMBL1650402 | N-(4,6-diphenylpyrimidin-2-yl)-3,3...) Show SMILES CC(C)(C)CC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O/c1-22(2,3)15-20(26)25-21-23-18(16-10-6-4-7-11-16)14-19(24-21)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.75	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