BDBM50164134 4-{4-[6-(2,6-Dichloro-4-hydroxy-phenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-phenoxy}-butyric acid::CHEMBL181314

SMILES: Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cc(O)cc2Cl)c1=O

InChI Key: InChIKey=SNPPIVATCUMIAD-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 = 50164134   

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))	BDBM50164134 (4-{4-[6-(2,6-Dichloro-4-hydroxy-phenyl)-8-methyl-7...) Show SMILES Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cc(O)cc2Cl)c1=O |(3.27,-4.44,;3.27,-2.9,;1.94,-2.12,;.61,-2.9,;-.72,-2.12,;-2.05,-2.92,;-3.38,-2.15,;-3.38,-.61,;-4.71,.16,;-6.06,-.61,;-7.4,.16,;-7.4,1.7,;-8.73,2.47,;-8.73,4.01,;-10.07,4.78,;-10.07,6.32,;-11.37,4.01,;-6.06,-2.15,;-4.71,-2.92,;-.72,-.59,;.61,.18,;1.94,-.59,;3.27,.19,;4.6,-.57,;5.93,.2,;5.93,1.74,;4.56,2.49,;7.24,2.51,;8.59,1.75,;9.92,2.54,;8.59,.23,;7.26,-.57,;7.28,-2.11,;4.62,-2.12,;5.95,-2.87,)| Show InChI InChI=1S/C24H20Cl2N4O5/c1-30-22-13(9-17(23(30)34)21-18(25)10-15(31)11-19(21)26)12-27-24(29-22)28-14-4-6-16(7-5-14)35-8-2-3-20(32)33/h4-7,9-12,31H,2-3,8H2,1H3,(H,32,33)(H,27,28,29)	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	40	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