BDBM50164138 5-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-phenyl}-pentanoic acid amide::CHEMBL180316

SMILES: Cn1c2nc(Nc3ccc(CCCCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O

InChI Key: InChIKey=YGZSYVXKAPHGAK-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 = 50164138   

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))	BDBM50164138 (5-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...) Show SMILES Cn1c2nc(Nc3ccc(CCCCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.58,-4.37,;3.58,-2.83,;2.24,-2.06,;.89,-2.83,;-.44,-2.06,;-1.77,-2.85,;-3.1,-2.08,;-3.1,-.54,;-4.43,.23,;-5.76,-.54,;-7.09,.23,;-7.11,1.77,;-8.44,2.54,;-8.44,4.08,;-9.79,4.85,;-9.45,6.35,;-11.23,4.36,;-5.76,-2.08,;-4.43,-2.85,;-.44,-.52,;.89,.25,;2.24,-.52,;3.55,.26,;4.88,-.5,;6.21,.27,;6.21,1.81,;4.85,2.56,;7.54,2.58,;8.87,1.82,;8.87,.28,;7.56,-.5,;7.57,-2.04,;4.91,-2.05,;6.23,-2.81,)| Show InChI InChI=1S/C25H23Cl2N5O2/c1-32-23-16(13-18(24(32)34)22-19(26)6-4-7-20(22)27)14-29-25(31-23)30-17-11-9-15(10-12-17)5-2-3-8-21(28)33/h4,6-7,9-14H,2-3,5,8H2,1H3,(H2,28,33)(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	260	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