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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50043646   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Wee1-like protein kinase


(Homo sapiens (Human))		BDBM50043646
PNG
(CHEMBL3355531)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.69,-46.11,;55.36,-45.33,;55.36,-43.79,;54.03,-43.02,;54.03,-41.48,;52.7,-40.72,;52.71,-39.18,;51.37,-38.41,;51.38,-36.86,;50.05,-36.09,;48.72,-36.85,;48.71,-38.4,;50.04,-39.17,;47.38,-39.16,;47.05,-40.65,;45.53,-40.81,;44.92,-39.41,;46.06,-38.39,;46.06,-36.84,;44.72,-36.08,;43.38,-36.85,;42.05,-36.08,;42.05,-34.53,;43.38,-33.76,;44.72,-34.53,;46.05,-33.75,;47.38,-36.08,;47.38,-34.54,;51.36,-41.48,;51.36,-43.02,;52.7,-43.79,;52.69,-45.31,;51.59,-46.4,;51.2,-44.91,;54.02,-46.1,)|
Show InChI InChI=1S/C26H22ClN7O/c1-32-14-16-12-17(6-7-19(16)26(15-32)8-9-26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-5-3-2-4-20(21)27/h2-7,10-13H,8-9,14-15H2,1H3,(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 100n/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Weel1 in human NCI-H1299 cells assessed as phosphorylation of Cdk1 after overnight incubation by ELISA PD assay

ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair