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BDBM50164114 2,4-Dichloro-3-(8-methyl-7-oxo-2-phenylamino-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl)-benzamide::CHEMBL179806

SMILES: Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C(N)=O)c2Cl)c1=O

InChI Key: InChIKey=XGRHXVNSGOZGLK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50164114   
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))
BDBM50164114
PNG
(2,4-Dichloro-3-(8-methyl-7-oxo-2-phenylamino-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C(N)=O)c2Cl)c1=O |(.77,-4.02,;.77,-2.5,;-.56,-1.71,;-1.91,-2.5,;-3.24,-1.71,;-4.57,-2.5,;-5.9,-1.73,;-7.23,-2.5,;-8.58,-1.75,;-8.58,-.21,;-7.23,.58,;-5.9,-.19,;-3.24,-.17,;-1.91,.6,;-.56,-.17,;.75,.6,;2.08,-.15,;3.41,.61,;4.74,-.15,;4.76,-1.7,;6.07,.62,;6.07,2.16,;4.72,2.92,;4.71,4.47,;6.03,5.27,;3.36,5.23,;3.41,2.16,;2.05,2.91,;2.1,-1.71,;3.43,-2.46,)|
Show InChI InChI=1S/C21H15Cl2N5O2/c1-28-19-11(10-25-21(27-19)26-12-5-3-2-4-6-12)9-14(20(28)30)16-15(22)8-7-13(17(16)23)18(24)29/h2-10H,1H3,(H2,24,29)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+3n/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