BDBM50201815 5-(4-dimethylaminophenyl)-6-(4-dimethylaminophenylethynyl)pyrimidin-4-ylamine::CHEMBL226392

SMILES: CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(cc1)N(C)C

InChI Key: InChIKey=NOKVEPVGEVHPND-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50201815   

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 kinase (Homo sapiens (Human))	BDBM50201815 (5-(4-dimethylaminophenyl)-6-(4-dimethylaminophenyl...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H23N5/c1-26(2)18-10-5-16(6-11-18)7-14-20-21(22(23)25-15-24-20)17-8-12-19(13-9-17)27(3)4/h5-6,8-13,15H,1-4H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of adenosine kinase in intact cells assessed as adenosine phosphorylation				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50201815 (5-(4-dimethylaminophenyl)-6-(4-dimethylaminophenyl...) Show SMILES CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc(cc1)N(C)C Show InChI InChI=1S/C22H23N5/c1-26(2)18-10-5-16(6-11-18)7-14-20-21(22(23)25-15-24-20)17-8-12-19(13-9-17)27(3)4/h5-6,8-13,15H,1-4H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cytosolic adenosine kinase				Bioorg Med Chem 15: 1586-605 (2007) Article DOI: 10.1016/j.bmc.2006.12.029 BindingDB Entry DOI: 10.7270/Q2G44PZP
					More data for this Ligand-Target Pair