BDBM50164158 4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-phenyl}-butyric acid 2-dimethylamino-ethyl ester::CHEMBL179065

SMILES: CN(C)CCOC(=O)CCCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1

InChI Key: InChIKey=USNDHZKEPOBCSD-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 = 50164158   

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))	BDBM50164158 (4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...) Show SMILES CN(C)CCOC(=O)CCCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-11.37,8.52,;-10.07,7.73,;-8.72,8.5,;-10.05,6.22,;-8.72,5.45,;-8.72,3.91,;-7.39,3.14,;-6.04,3.92,;-7.37,1.6,;-6.04,.84,;-6.04,-.7,;-4.69,-1.45,;-4.68,-3.02,;-3.35,-3.76,;-2.03,-3.01,;-.69,-3.76,;.64,-2.99,;.64,-1.45,;1.97,-.66,;3.3,-1.45,;4.63,-.66,;5.96,-1.43,;7.29,-.65,;8.62,-1.41,;8.63,-2.95,;9.95,-.65,;9.95,.9,;8.59,1.66,;7.28,.88,;5.93,1.65,;5.97,-2.99,;7.31,-3.74,;4.64,-3.76,;4.64,-5.3,;3.3,-2.99,;1.97,-3.76,;-2.02,-1.45,;-3.36,-.7,)| Show InChI InChI=1S/C28H29Cl2N5O3/c1-34(2)14-15-38-24(36)9-4-6-18-10-12-20(13-11-18)32-28-31-17-19-16-21(27(37)35(3)26(19)33-28)25-22(29)7-5-8-23(25)30/h5,7-8,10-13,16-17H,4,6,9,14-15H2,1-3H3,(H,31,32,33)	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	124	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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