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BDBM50164128 6-(2,6-Dichloro-3,5-dihydroxy-phenyl)-8-methyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one::CHEMBL361347

SMILES: Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)c(O)cc(O)c2Cl)c1=O

InChI Key: InChIKey=BAMKXISZMCXXPK-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50164128   
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))
BDBM50164128
PNG
(6-(2,6-Dichloro-3,5-dihydroxy-phenyl)-8-methyl-2-p...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)c(O)cc(O)c2Cl)c1=O |(.83,-3.66,;.83,-2.13,;-.51,-1.34,;-1.84,-2.14,;-3.17,-1.36,;-4.5,-2.15,;-5.86,-1.38,;-5.84,.16,;-7.19,.94,;-8.53,.16,;-8.5,-1.39,;-7.17,-2.15,;-3.17,.18,;-1.84,.96,;-.51,.19,;.82,.96,;2.16,.2,;3.49,.98,;4.82,.21,;4.82,-1.33,;6.16,.98,;7.49,.23,;6.16,2.53,;4.8,3.3,;4.78,4.84,;3.47,2.52,;2.13,3.27,;2.16,-1.34,;3.52,-2.11,)|
Show InChI InChI=1S/C20H14Cl2N4O3/c1-26-18-10(9-23-20(25-18)24-11-5-3-2-4-6-11)7-12(19(26)29)15-16(21)13(27)8-14(28)17(15)22/h2-9,27-28H,1H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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