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PubMed code 20605720

Compile data set for download or QSAR
Found 5 hits of 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50321859
PNG
(2-(3-Benzoylphenyl)-N-(1H-indol-5-yl)-N-propylprop...)
Show SMILES CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H26N2O2/c1-3-16-29(24-12-13-25-22(18-24)14-15-28-25)27(31)19(2)21-10-7-11-23(17-21)26(30)20-8-5-4-6-9-20/h4-15,17-19,28H,3,16H2,1-2H3
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli1 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter ge...


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50321858
PNG
(2-(3-Benzoylphenyl)-N-(1H-indol-6-yl)-N-propylprop...)
Show SMILES CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H26N2O2/c1-3-16-29(24-13-12-20-14-15-28-25(20)18-24)27(31)19(2)22-10-7-11-23(17-22)26(30)21-8-5-4-6-9-21/h4-15,17-19,28H,3,16H2,1-2H3
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli1 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter ge...


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
Zinc finger protein GLI2


(Homo sapiens (Human))
BDBM50321859
PNG
(2-(3-Benzoylphenyl)-N-(1H-indol-5-yl)-N-propylprop...)
Show SMILES CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H26N2O2/c1-3-16-29(24-12-13-25-22(18-24)14-15-28-25)27(31)19(2)21-10-7-11-23(17-21)26(30)20-8-5-4-6-9-20/h4-15,17-19,28H,3,16H2,1-2H3
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PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli2 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter ge...


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
Zinc finger protein GLI2


(Homo sapiens (Human))
BDBM50321858
PNG
(2-(3-Benzoylphenyl)-N-(1H-indol-6-yl)-N-propylprop...)
Show SMILES CCCN(C(=O)C(C)c1cccc(c1)C(=O)c1ccccc1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H26N2O2/c1-3-16-29(24-13-12-20-14-15-28-25(20)18-24)27(31)19(2)22-10-7-11-23(17-22)26(30)21-8-5-4-6-9-21/h4-15,17-19,28H,3,16H2,1-2H3
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PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli2 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter ge...


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Homo sapiens (Human))
BDBM50249557
PNG
(2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)...)
Show SMILES CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1
Show InChI InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3
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MCE
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Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human Gli1-mediated transcriptional activity in human Rh30 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 18: 4801-11 (2011)


Article DOI: 10.1016/j.bmc.2010.05.001
BindingDB Entry DOI: 10.7270/Q23R0TTT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%