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BDBM50164150 6-(2,6-Bis-trifluoromethyl-phenyl)-8-methyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one::CHEMBL181871

SMILES: Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(cccc2C(F)(F)F)C(F)(F)F)c1=O

InChI Key: InChIKey=JWOHXWUYRDFINN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50164150   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164150
PNG
(6-(2,6-Bis-trifluoromethyl-phenyl)-8-methyl-2-phen...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(cccc2C(F)(F)F)C(F)(F)F)c1=O |(.54,-3.62,;.54,-2.08,;-.79,-1.31,;-2.14,-2.1,;-3.45,-1.34,;-4.78,-2.1,;-6.13,-1.34,;-6.11,.21,;-7.46,.97,;-8.78,.19,;-8.78,-1.35,;-7.44,-2.12,;-3.45,.23,;-2.14,.98,;-.79,.23,;.54,1,;1.87,.23,;3.2,1.02,;4.52,.23,;5.85,1.03,;5.85,2.57,;4.5,3.33,;3.18,2.54,;1.84,3.29,;.5,4.07,;1.07,1.96,;2.61,4.63,;4.53,-1.31,;6.07,-1.31,;4.13,-2.78,;5.62,-2.39,;1.87,-1.31,;3.22,-2.08,)|
Show InChI InChI=1S/C22H14F6N4O/c1-32-18-12(11-29-20(31-18)30-13-6-3-2-4-7-13)10-14(19(32)33)17-15(21(23,24)25)8-5-9-16(17)22(26,27)28/h2-11H,1H3,(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/an/a 4.10E+4n/an/an/an/an/an/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