BDBM50164162 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(2,6-dimethyl-phenyl)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one::CHEMBL181095

SMILES: CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1

InChI Key: InChIKey=BJIVPJOEDIEVGM-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50164162   

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
Serine/threonine-protein kinase WEE1 (Homo sapiens (Human))	BDBM50164162 (2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(2,6-d...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 |(-5.69,4.01,;-7.02,4.78,;-8.35,4.01,;-9.7,4.78,;-11.03,4.01,;-8.35,2.47,;-7.02,1.7,;-7.02,.16,;-5.67,-.61,;-5.66,-2.15,;-4.33,-2.92,;-3.01,-2.13,;-1.67,-2.9,;-.34,-2.13,;-.34,-.59,;.99,.19,;2.32,-.59,;3.65,.2,;4.98,-.57,;6.31,.2,;6.31,1.74,;4.95,2.5,;7.61,2.51,;8.97,1.77,;8.97,.23,;7.64,-.56,;7.65,-2.1,;5,-2.11,;6.33,-2.88,;3.66,-2.9,;3.66,-4.44,;2.32,-2.12,;.99,-2.9,;-3,-.59,;-4.33,.18,)| Show InChI InChI=1S/C28H33N5O2/c1-6-33(7-2)15-16-35-23-13-11-22(12-14-23)30-28-29-18-21-17-24(27(34)32(5)26(21)31-28)25-19(3)9-8-10-20(25)4/h8-14,17-18H,6-7,15-16H2,1-5H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of checkpoint kinase Wee1				Bioorg Med Chem Lett 15: 1931-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.079 BindingDB Entry DOI: 10.7270/Q280524M
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