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PDB code 1X8B

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase WEE1

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50192349
PNG
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 97n/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
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50192349
PNG
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 97n/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 (crystal)
Serine/threonine-protein kinase WEE1

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50192349
PNG
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 97n/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 (crystal)
Serine/threonine-protein kinase WEE1

  (285/285 = 100%)
(Homo sapiens (Human))
BDBM50192349
PNG
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 97n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output