BDBM50164153 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-morpholin-4-yl-ethyl ester::CHEMBL362862

SMILES: Cn1c2nc(Nc3ccc(CCCC(=O)OCCN4CCOCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O

InChI Key: InChIKey=PPHGTZJCHWQRLA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50164153   

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))	BDBM50164153 (4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...) Show SMILES Cn1c2nc(Nc3ccc(CCCC(=O)OCCN4CCOCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(5.37,-6.04,;5.37,-4.51,;4.02,-3.73,;2.69,-4.51,;1.38,-3.76,;.03,-4.53,;-1.3,-3.76,;-2.61,-4.53,;-3.96,-3.76,;-3.96,-2.22,;-5.31,-1.45,;-5.31,.09,;-6.64,.84,;-6.64,2.4,;-5.31,3.17,;-8,3.15,;-8,4.71,;-9.31,5.45,;-9.33,6.99,;-8,7.75,;-8,9.29,;-9.31,10.06,;-10.66,9.29,;-10.66,7.75,;-2.63,-1.45,;-1.28,-2.22,;1.38,-2.2,;2.69,-1.42,;4.02,-2.2,;5.37,-1.42,;6.68,-2.19,;8.03,-1.41,;9.36,-2.17,;9.36,-3.72,;10.67,-1.41,;10.67,.14,;9.33,.9,;8.01,.12,;6.67,.89,;6.7,-3.73,;8.05,-4.5,)| Show InChI InChI=1S/C30H31Cl2N5O4/c1-36-28-21(18-23(29(36)39)27-24(31)5-3-6-25(27)32)19-33-30(35-28)34-22-10-8-20(9-11-22)4-2-7-26(38)41-17-14-37-12-15-40-16-13-37/h3,5-6,8-11,18-19H,2,4,7,12-17H2,1H3,(H,33,34,35)	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	95	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
					More data for this Ligand-Target Pair