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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 = 'BDBM50043651'   
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))
BDBM50043651
PNG
(CHEMBL3355536)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(43.1,-16.05,;41.77,-15.27,;41.78,-13.73,;40.45,-12.96,;40.45,-11.43,;39.12,-10.66,;39.12,-9.12,;37.79,-8.35,;37.79,-6.8,;36.46,-6.03,;35.13,-6.8,;35.12,-8.34,;36.45,-9.11,;33.79,-9.1,;33.47,-10.59,;31.95,-10.74,;31.34,-9.35,;32.47,-8.34,;32.47,-6.79,;31.14,-6.02,;31.13,-4.47,;32.46,-3.69,;29.8,-3.71,;28.47,-4.47,;28.46,-6.02,;29.8,-6.79,;29.8,-8.33,;33.79,-6.02,;33.79,-4.48,;37.78,-11.42,;37.77,-12.96,;39.11,-13.73,;39.1,-15.25,;38,-16.34,;37.61,-14.85,;40.44,-16.04,)|
Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
<1n/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))
BDBM50043651
PNG
(CHEMBL3355536)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(43.1,-16.05,;41.77,-15.27,;41.78,-13.73,;40.45,-12.96,;40.45,-11.43,;39.12,-10.66,;39.12,-9.12,;37.79,-8.35,;37.79,-6.8,;36.46,-6.03,;35.13,-6.8,;35.12,-8.34,;36.45,-9.11,;33.79,-9.1,;33.47,-10.59,;31.95,-10.74,;31.34,-9.35,;32.47,-8.34,;32.47,-6.79,;31.14,-6.02,;31.13,-4.47,;32.46,-3.69,;29.8,-3.71,;28.47,-4.47,;28.46,-6.02,;29.8,-6.79,;29.8,-8.33,;33.79,-6.02,;33.79,-4.48,;37.78,-11.42,;37.77,-12.96,;39.11,-13.73,;39.1,-15.25,;38,-16.34,;37.61,-14.85,;40.44,-16.04,)|
Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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 27n/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