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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 = 'BDBM50192381'   
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))
BDBM50192381
PNG
(4-(2-chloro-4-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES Oc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H11ClN2O4/c21-13-6-9(25)1-3-10(13)11-7-15-16(18-17(11)19(26)23-20(18)27)12-5-8(24)2-4-14(12)22-15/h1-7,22,24-25H,(H,23,26,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 23n/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
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50192381
PNG
(4-(2-chloro-4-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES Oc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H11ClN2O4/c21-13-6-9(25)1-3-10(13)11-7-15-16(18-17(11)19(26)23-20(18)27)12-5-8(24)2-4-14(12)22-15/h1-7,22,24-25H,(H,23,26,27)
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 23n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair