BDBM50164139 2-Amino-3-{4-[6-(2,6-dichloro-phenyl)-8-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-phenyl}-propionic acid::CHEMBL435732

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

InChI Key: InChIKey=JWSAVLRUWFUVLH-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 = 50164139   

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))	BDBM50164139 (2-Amino-3-{4-[6-(2,6-dichloro-phenyl)-8-methyl-7-o...) Show SMILES Cn1c2nc(Nc3ccc(CC(N)C(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.13,-4.02,;3.13,-2.5,;1.78,-1.71,;.44,-2.5,;-.9,-1.71,;-2.23,-2.5,;-3.56,-1.73,;-4.89,-2.5,;-6.21,-1.75,;-6.21,-.21,;-7.58,.56,;-7.58,2.1,;-6.22,2.89,;-8.91,2.89,;-10.24,2.1,;-8.91,4.41,;-4.89,.58,;-3.56,-.19,;-.9,-.17,;.44,.6,;1.78,-.17,;3.09,.6,;4.44,-.15,;5.75,.61,;7.1,-.15,;7.1,-1.7,;8.43,.65,;8.41,2.16,;7.08,2.92,;5.75,2.16,;4.39,2.91,;4.44,-1.71,;5.79,-2.46,)| Show InChI InChI=1S/C23H19Cl2N5O3/c1-30-20-13(10-15(21(30)31)19-16(24)3-2-4-17(19)25)11-27-23(29-20)28-14-7-5-12(6-8-14)9-18(26)22(32)33/h2-8,10-11,18H,9,26H2,1H3,(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	90	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