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Compile Data Set for Download or QSAR

Found 242 hits from Chulalongkorn University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50193667
PNG
(2,4,3',5'-tetrahydroxybibenzyl | CHEMBL221291)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H14O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h3-8,15-18H,1-2H2
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4.80E+3n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 1.2 uM


Bioorg Med Chem Lett 16: 5650-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.018
BindingDB Entry DOI: 10.7270/Q2348K00
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50193667
PNG
(2,4,3',5'-tetrahydroxybibenzyl | CHEMBL221291)
Show SMILES Oc1ccc(CCc2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H14O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h3-8,15-18H,1-2H2
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5.60E+3n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 2.4 uM


Bioorg Med Chem Lett 16: 5650-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.018
BindingDB Entry DOI: 10.7270/Q2348K00
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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2.20E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 9.2 uM


Bioorg Med Chem Lett 16: 5650-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.018
BindingDB Entry DOI: 10.7270/Q2348K00
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/m1/s1
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2.24E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestine sucrase using sucrose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/m1/s1
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2.38E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestine maltase using maltose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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2.80E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 18.4 uM


Bioorg Med Chem Lett 16: 5650-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.018
BindingDB Entry DOI: 10.7270/Q2348K00
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/m1/s1
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4.75E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestine sucrase using sucrose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50439692
PNG
(CHEMBL2418233)
Show SMILES O[C@@H]1C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H18O8/c16-8-3-1-7(5-9(8)17)2-4-12(19)23-11-6-10(18)13(20)15(22)14(11)21/h1-5,10-11,13-18,20-22H,6H2/b4-2+/t10-,11-,13+,14+,15-/m1/s1
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6.45E+4n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestine maltase using maltose as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 66: 296-304 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.047
BindingDB Entry DOI: 10.7270/Q2X63PCD
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50208826
PNG
((+)-Pinoresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
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2.88E+5n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal maltase using maltose as substrate assessed as dissociation of enzyme-inhibitor complex at 0.1 to 1 mg/ml by...


Bioorg Med Chem Lett 22: 5215-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.068
BindingDB Entry DOI: 10.7270/Q28G8MR8
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50123929
PNG
(CHEMBL3621760)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)c(C(CCc2ccccc2)c2ccc(O)cc2O)c1O)c1ccccc1
Show InChI InChI=1S/C36H40O7/c37-26-19-21-27(31(40)22-26)28(20-18-24-12-6-4-7-13-24)34-32(41)23-33(42)35(36(34)43)30(39)17-11-3-1-2-10-16-29(38)25-14-8-5-9-15-25/h4-9,12-15,19,21-23,28-29,37-38,40-43H,1-3,10-11,16-18,20H2/t28?,29-/m0/s1
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3.80E+5n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by Lineweaver-Burk plot ana...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50123930
PNG
(CHEMBL3621759)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)cc1O)c1ccccc1
Show InChI InChI=1S/C21H26O5/c22-16-13-19(25)21(20(26)14-16)18(24)12-8-3-1-2-7-11-17(23)15-9-5-4-6-10-15/h4-6,9-10,13-14,17,22-23,25-26H,1-3,7-8,11-12H2/t17-/m0/s1
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4.80E+5n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by Lineweaver-Burk plot ana...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50123929
PNG
(CHEMBL3621760)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)c(C(CCc2ccccc2)c2ccc(O)cc2O)c1O)c1ccccc1
Show InChI InChI=1S/C36H40O7/c37-26-19-21-27(31(40)22-26)28(20-18-24-12-6-4-7-13-24)34-32(41)23-33(42)35(36(34)43)30(39)17-11-3-1-2-10-16-29(38)25-14-8-5-9-15-25/h4-9,12-15,19,21-23,28-29,37-38,40-43H,1-3,10-11,16-18,20H2/t28?,29-/m0/s1
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5.30E+5n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by Lineweaver-Burk plot ana...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50123930
PNG
(CHEMBL3621759)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)cc1O)c1ccccc1
Show InChI InChI=1S/C21H26O5/c22-16-13-19(25)21(20(26)14-16)18(24)12-8-3-1-2-7-11-17(23)15-9-5-4-6-10-15/h4-6,9-10,13-14,17,22-23,25-26H,1-3,7-8,11-12H2/t17-/m0/s1
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5.40E+5n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by Lineweaver-Burk plot ana...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50123930
PNG
(CHEMBL3621759)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)cc1O)c1ccccc1
Show InChI InChI=1S/C21H26O5/c22-16-13-19(25)21(20(26)14-16)18(24)12-8-3-1-2-7-11-17(23)15-9-5-4-6-10-15/h4-6,9-10,13-14,17,22-23,25-26H,1-3,7-8,11-12H2/t17-/m0/s1
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1.09E+6n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by Lineweaver-Burk plot analysi...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50208826
PNG
((+)-Pinoresinol | 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-...)
Show SMILES COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(O)c(OC)c1
Show InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
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1.34E+6n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of rat intestinal maltase using maltose as substrate assessed as dissociation of enzyme-substrate-inhibitor complex at 0.1...


Bioorg Med Chem Lett 22: 5215-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.068
BindingDB Entry DOI: 10.7270/Q28G8MR8
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50123930
PNG
(CHEMBL3621759)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)cc1O)c1ccccc1
Show InChI InChI=1S/C21H26O5/c22-16-13-19(25)21(20(26)14-16)18(24)12-8-3-1-2-7-11-17(23)15-9-5-4-6-10-15/h4-6,9-10,13-14,17,22-23,25-26H,1-3,7-8,11-12H2/t17-/m0/s1
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1.64E+6n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by Lineweaver-Burk plot analysi...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50123929
PNG
(CHEMBL3621760)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)c(C(CCc2ccccc2)c2ccc(O)cc2O)c1O)c1ccccc1
Show InChI InChI=1S/C36H40O7/c37-26-19-21-27(31(40)22-26)28(20-18-24-12-6-4-7-13-24)34-32(41)23-33(42)35(36(34)43)30(39)17-11-3-1-2-10-16-29(38)25-14-8-5-9-15-25/h4-9,12-15,19,21-23,28-29,37-38,40-43H,1-3,10-11,16-18,20H2/t28?,29-/m0/s1
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1.96E+6n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by Lineweaver-Burk plot analysi...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50123929
PNG
(CHEMBL3621760)
Show SMILES O[C@@H](CCCCCCCC(=O)c1c(O)cc(O)c(C(CCc2ccccc2)c2ccc(O)cc2O)c1O)c1ccccc1
Show InChI InChI=1S/C36H40O7/c37-26-19-21-27(31(40)22-26)28(20-18-24-12-6-4-7-13-24)34-32(41)23-33(42)35(36(34)43)30(39)17-11-3-1-2-10-16-29(38)25-14-8-5-9-15-25/h4-9,12-15,19,21-23,28-29,37-38,40-43H,1-3,10-11,16-18,20H2/t28?,29-/m0/s1
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3.07E+6n/an/an/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Competitive inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by Lineweaver-Burk plot analysi...


Bioorg Med Chem Lett 25: 4529-33 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.069
BindingDB Entry DOI: 10.7270/Q2WD42C3
More data for this
Ligand-Target Pair
Neuraminidase N3


(Influenza A virus (A/turkey/Italy/8000/2002(H7N3)))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 0.120n/an/an/an/a6.5n/a



Chulalongkorn University



Assay Description
Practically in a microtitre plate, 90 μl of 33 mM MES pH 6.5 containing 4 mM CaCl2 were dispensed in each well, except for the first well of eac...


J Enzyme Inhib Med Chem 27: 5-11 (2012)


Article DOI: 10.3109/14756366.2011.568415
BindingDB Entry DOI: 10.7270/Q2VT1R04
More data for this
Ligand-Target Pair
Neuraminidase N3


(Influenza A virus (A/turkey/Italy/8000/2002(H7N3)))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 0.200n/an/an/an/a6.537



Chulalongkorn University



Assay Description
The 50% inhibitory concentration (IC50) determination was carried out by using a 96-well microtitre plate as an array of reaction vessels. In the fir...


J Enzyme Inhib Med Chem 27: 5-11 (2012)


Article DOI: 10.3109/14756366.2011.568415
BindingDB Entry DOI: 10.7270/Q2VT1R04
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 6n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245387
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C29H20ClN3O6S/c30-21-9-5-4-8-18(21)19-15-23-25(27-26(19)28(36)31-29(27)37)20-14-16(34)10-11-22(20)33(23)13-12-24(35)32-40(38,39)17-6-2-1-3-7-17/h1-11,14-15,34H,12-13H2,(H,32,35)(H,31,36,37)
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n/an/a 7n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245496
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)
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n/an/a 7.10n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245457
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(2-hydroxyethyl...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H14Cl2N2O4/c23-13-2-1-3-14(24)17(13)12-9-16-18(20-19(12)21(29)25-22(20)30)11-8-10(28)4-5-15(11)26(16)6-7-27/h1-5,8-9,27-28H,6-7H2,(H,25,29,30)
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n/an/a 8n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50232241
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)
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n/an/a 8.90n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279633
PNG
(6-(2-(1H-1,2,3-triazol-1-ylsulfinyl)ethyl)-4-(2-ch...)
Show SMILES Oc1ccc2n(CCS(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O4S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-35(34)30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)
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n/an/a 9n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245384
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN2O5/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)25-23(21)31)14-9-11(27)5-6-16(14)26(17)8-7-18(28)29/h1-6,9-10,27H,7-8H2,(H,28,29)(H,25,30,31)
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n/an/a 9n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192371
PNG
(4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 11n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192414
PNG
(4-(3-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES Nc1cccc(c1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12ClN3O3/c21-18-9(2-1-3-12(18)22)10-7-14-15(17-16(10)19(26)24-20(17)27)11-6-8(25)4-5-13(11)23-14/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 12n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
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n/an/a 12n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192422
PNG
(4-(2-iodophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1I
Show InChI InChI=1S/C20H11IN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 13n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245341
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H24Cl2N4O4/c1-32(2)11-9-30-21(35)8-10-33-19-7-6-14(34)12-15(19)23-20(33)13-16(22-17(28)4-3-5-18(22)29)24-25(23)27(37)31-26(24)36/h3-7,12-13,34H,8-11H2,1-2H3,(H,30,35)(H,31,36,37)
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n/an/a 14n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245525
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)
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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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192377
PNG
(4-(2-chloro-6-methoxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES COc1cccc(Cl)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H13ClN2O4/c1-28-15-4-2-3-12(22)16(15)11-8-14-17(19-18(11)20(26)24-21(19)27)10-7-9(25)5-6-13(10)23-14/h2-8,23,25H,1H3,(H,24,26,27)
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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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279729
PNG
(CHEMBL472689 | N-(2-(1H-pyrrol-1-yl)ethyl)-4-(2-ch...)
Show SMILES Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H21ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-7,9-10,12-14,34H,8,11H2,1H3,(H,30,35)(H,31,36,37)
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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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
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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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)
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245459
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[3-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN6O3/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(33)26-24(22)34)15-10-12(32)7-8-17(15)31(18)9-3-6-19-27-29-30-28-19/h1-2,4-5,7-8,10-11,32H,3,6,9H2,(H,26,33,34)(H,27,28,29,30)
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n/an/a 16n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279690
PNG
(8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...)
Show SMILES OCCn1c2cc(c3C(=O)NC(=O)c3c2c2=CC(O)(O)C(OCCCn3cccc3)C=c12)-c1ccccc1Cl
Show InChI InChI=1S/C29H26ClN3O6/c30-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(35)31-28(26)36)19-16-29(37,38)23(15-21(19)33(22)11-12-34)39-13-5-10-32-8-3-4-9-32/h1-4,6-9,14-16,23,34,37-38H,5,10-13H2,(H,31,35,36)
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n/an/a 18n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192382
PNG
(4-(2,6-dichloro-3-hydroxyphenyl)-9-hydroxypyrrolo[...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)ccc(O)c1Cl
Show InChI InChI=1S/C20H10Cl2N2O4/c21-10-2-4-13(26)18(22)14(10)9-6-12-15(17-16(9)19(27)24-20(17)28)8-5-7(25)1-3-11(8)23-12/h1-6,23,25-26H,(H,24,27,28)
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n/an/a 18n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50232235
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C30H30ClN3O5/c31-22-7-2-1-6-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)9-12-35)5-3-4-8-33-10-13-39-14-11-33/h1-2,6-7,15-17,35-36H,3-5,8-14H2,(H,32,37,38)
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n/an/a 19n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279498
PNG
(6-(2-(1H-1,2,3-triazol-1-ylsulfonyl)ethyl)-4-(2-ch...)
Show SMILES Oc1ccc2n(CCS(=O)(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O5S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-36(34,35)30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)
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n/an/a 19n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192402
PNG
(4-(4-amino-2-methoxyphenyl)-9-hydroxypyrrolo[3,4-c...)
Show SMILES COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H15N3O4/c1-28-16-6-9(22)2-4-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-5-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27)
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n/an/a 19n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279710
PNG
(8-(3-(1H-pyrrol-1-yl)propylthio)-4-(2-chlorophenyl...)
Show SMILES Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H22ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 20n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192435
PNG
(4-(4-amino-2-bromophenyl)-9-hydroxypyrrolo[3,4-c]c...)
Show SMILES Nc1ccc(c(Br)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12BrN3O3/c21-13-5-8(22)1-3-10(13)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 20n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192389
PNG
(4-(5-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES Nc1ccc(Cl)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12ClN3O3/c21-13-3-1-8(22)5-10(13)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 20n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50245423
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)
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n/an/a 21n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279442
PNG
(3-(9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]ca...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C17H13N3O4/c18-13(22)5-6-20-11-3-1-8(21)7-10(11)14-12(20)4-2-9-15(14)17(24)19-16(9)23/h1-4,7,21H,5-6H2,(H2,18,22)(H,19,23,24)
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n/an/a 21n/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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
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)
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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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50192440
PNG
(4-(2-bromophenyl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Br
Show InChI InChI=1S/C20H11BrN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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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
Serine/threonine-protein kinase WEE1


(Homo sapiens)
BDBM50279580
PNG
(3-(9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]ca...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C17H12N2O5/c20-8-1-3-11-10(7-8)14-12(19(11)6-5-13(21)22)4-2-9-15(14)17(24)18-16(9)23/h1-4,7,20H,5-6H2,(H,21,22)(H,18,23,24)
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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
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