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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Wee1-like protein kinase' and Ligand = 'BDBM50232227'   
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))
BDBM50232227
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50232227
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)