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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50038697   
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
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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PC cid
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UniChem

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Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50249140
PNG
(CHEMBL470503 | colubrinic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C=O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50249188
PNG
(Alphitolic acid | CHEMBL511805)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50274058
PNG
(CHEMBL522108 | ceanothanolic acid)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](CO)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50377959
PNG
(CHEMBL491069)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay


Bioorg Med Chem 16: 9420-4 (2008)


Article DOI: 10.1016/j.bmc.2008.09.053
BindingDB Entry DOI: 10.7270/Q2Q52QH1
More data for this
Ligand-Target Pair