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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase WEE1' and Ligand = 'BDBM50043646'   
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
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043646
PNG
(CHEMBL3355531)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1
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

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


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
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043646
PNG
(CHEMBL3355531)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1
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

B.MOAD
DrugBank
GoogleScholar
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