BDBM14488 5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine::CHEMBL216697::[5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine]::alkynylpyrimidine 2

SMILES: CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1

InChI Key: InChIKey=AINVOEOJEKKMKB-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 14488   

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 (AK) (Rattus norvegicus (rat))	BDBM14488 (5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...) Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.5	23
Abbott Laboratories					Assay Description ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP ...				J Med Chem 49: 6726-31 (2006) Article DOI: 10.1021/jm060189a BindingDB Entry DOI: 10.7270/Q2QC01R6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM14488 (5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...) Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	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				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM14488 (5-[4-(dimethylamino)phenyl]-6-{2-[6-(morpholin-4-y...) Show SMILES CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C23H24N6O/c1-28(2)19-7-5-18(6-8-19)22-20(26-16-27-23(22)24)9-3-17-4-10-21(25-15-17)29-11-13-30-14-12-29/h4-8,10,15-16H,11-14H2,1-2H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	68	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				3D Structure (crystal)