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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Transcription factor HES-1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Transcription factor HES-1


(Mus musculus)
BDBM50378454
PNG
(LINDBLADIONE)
Show SMILES CCCC(=O)CC=C1C(=O)C(=O)c2cc(O)c(O)cc2C1=O
Show InChI InChI=1S/C16H14O6/c1-2-3-8(17)4-5-9-14(20)10-6-12(18)13(19)7-11(10)16(22)15(9)21/h5-7,18-19H,2-4H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378456
PNG
(LYCOGALIC ACID A | LYCOGARIC ACID A)
Show SMILES OC(=O)c1[nH]c(C(O)=O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378457
PNG
(CHEMBL572017)
Show SMILES C\C=C1\[C@H]2OC=C([C@H]1CC(=O)OC[C@@H](OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C24H28O13/c1-2-11-12-6-18(27)34-8-16(10-3-4-14(25)15(26)5-10)33-9-17-19(28)20(29)21(30)24(36-17)37-23(11)35-7-13(12)22(31)32/h2-5,7,12,16-17,19-21,23-26,28-30H,6,8-9H2,1H3,(H,31,32)/b11-2+/t12-,16?,17+,19+,20-,21+,23-,24-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378459
PNG
(NUDIPOSIDE)
Show SMILES COc1cc2C[C@H](CO)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](c3cc(OC)c(O)c(OC)c3)c2c(OC)c1O
Show InChI InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16-,20+,22+,25-,27-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378455
PNG
(LYCOGARUBIN B)
Show SMILES COC(=O)c1[nH]c(C(=O)OC)c(-c2c[nH]c3ccc(O)cc23)c1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H19N3O5/c1-31-23(29)21-19(15-10-25-17-6-4-3-5-13(15)17)20(22(27-21)24(30)32-2)16-11-26-18-8-7-12(28)9-14(16)18/h3-11,25-28H,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Citation and Details
More data for this
Ligand-Target Pair
Transcription factor HES-1


(Mus musculus)
BDBM50378458
PNG
(LYONISIDE)
Show SMILES COc1cc2C[C@@H](CO)[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](c3cc(OC)c(O)c(OC)c3)c2c(OC)c1O
Show InChI InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16+,20+,22-,25+,27+/m0/s1
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n/an/a 4.81E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay


Citation and Details
More data for this
Ligand-Target Pair