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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 = 'BDBM50043650'   
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))
BDBM50043650
PNG
(CHEMBL3355535)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)|
Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(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

Patents

Article
PubMed
2n/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))
BDBM50043650
PNG
(CHEMBL3355535)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1 |(26.63,-18.59,;26.64,-17.05,;25.31,-16.27,;25.31,-14.74,;26.65,-13.97,;27.99,-14.74,;27.98,-16.28,;26.65,-12.43,;25.32,-11.66,;25.32,-10.13,;26.66,-9.36,;26.66,-7.82,;25.33,-7.05,;25.33,-5.5,;24,-4.73,;22.67,-5.5,;22.66,-7.04,;23.99,-7.81,;21.34,-7.8,;21.01,-9.29,;19.49,-9.44,;18.88,-8.05,;20.02,-7.04,;20.02,-5.49,;18.68,-4.72,;17.34,-5.49,;17.34,-7.03,;16.01,-4.72,;16.01,-3.17,;17.34,-2.41,;18.68,-3.17,;20.01,-2.4,;21.34,-4.72,;21.34,-3.18,;27.99,-10.13,;27.99,-11.66,)|
Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(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

Patents

Article
PubMed
n/an/an/an/a 170n/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