BDBM50201814 5-benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine::CHEMBL449402

SMILES: Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cc2ccccc2o1

InChI Key: InChIKey=KLLNLSPMXXNKJB-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 = 50201814   

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))	BDBM50201814 (5-benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-yle...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cc2ccccc2o1 Show InChI InChI=1S/C23H19N5O2/c24-23-22(20-13-17-3-1-2-4-19(17)30-20)18(26-15-27-23)7-5-16-6-8-21(25-14-16)28-9-11-29-12-10-28/h1-4,6,8,13-15H,9-12H2,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	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))	BDBM50201814 (5-benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-yle...) Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1-c1cc2ccccc2o1 Show InChI InChI=1S/C23H19N5O2/c24-23-22(20-13-17-3-1-2-4-19(17)30-20)18(26-15-27-23)7-5-16-6-8-21(25-14-16)28-9-11-29-12-10-28/h1-4,6,8,13-15H,9-12H2,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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