BDBM50311547 5-fluoro-2-(1-(6-(3-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine::CHEMBL1076272

SMILES: COc1cccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c1

InChI Key: InChIKey=DEKRTLNHJYBYMD-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50311547   

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
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311547 (5-fluoro-2-(1-(6-(3-methoxyphenoxy)pyrimidin-4-yl)...) Show SMILES COc1cccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c1 Show InChI InChI=1S/C20H21FN6O3/c1-28-14-3-2-4-15(9-14)29-18-10-17(24-12-25-18)27-7-5-13(6-8-27)30-20-23-11-16(21)19(22)26-20/h2-4,9-13H,5-8H2,1H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of human dCK				Bioorg Med Chem Lett 19: 6780-3 (2009) Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50311547 (5-fluoro-2-(1-(6-(3-methoxyphenoxy)pyrimidin-4-yl)...) Show SMILES COc1cccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c1 Show InChI InChI=1S/C20H21FN6O3/c1-28-14-3-2-4-15(9-14)29-18-10-17(24-12-25-18)27-7-5-13(6-8-27)30-20-23-11-16(21)19(22)26-20/h2-4,9-13H,5-8H2,1H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of dCK in human CCRF-CEM assessed as inhibition of Ara-C phosohorylation				Bioorg Med Chem Lett 19: 6780-3 (2009) Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9
					More data for this Ligand-Target Pair