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PubMed code 22901899

Compile data set for download or QSAR
Found 15 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
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421180
PNG
(CHEMBL2086785)
Show SMILES CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421170
PNG
(CHEMBL2086775 | CHEMBL2086786)
Show SMILES CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3/h18-24,28-30H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421179
PNG
(CHEMBL2086784)
Show SMILES COCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C26H46O4/c1-24-12-9-17(27)15-21(24)22(28)16-18-19-7-8-23(25(19,2)13-10-20(18)24)26(3,29)11-5-6-14-30-4/h17-23,27-29H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26-/m0/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421180
PNG
(CHEMBL2086785)
Show SMILES CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421172
PNG
(CHEMBL2086777)
Show SMILES CCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C26H46O3/c1-5-6-7-12-26(4,29)23-9-8-19-18-16-22(28)21-15-17(27)10-13-24(21,2)20(18)11-14-25(19,23)3/h17-23,27-29H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421176
PNG
(CHEMBL2086781)
Show SMILES CCCCCC[C@@](O)(CC)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C28H50O3/c1-5-7-8-9-14-28(31,6-2)25-11-10-21-20-18-24(30)23-17-19(29)12-15-26(23,3)22(20)13-16-27(21,25)4/h19-25,29-31H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28-/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421177
PNG
(CHEMBL2086782)
Show SMILES CCCCCC[C@](O)([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 |r|
Show InChI InChI=1S/C32H50O3/c1-4-5-6-10-17-32(35,22-11-8-7-9-12-22)29-14-13-25-24-21-28(34)27-20-23(33)15-18-30(27,2)26(24)16-19-31(25,29)3/h7-9,11-12,23-29,33-35H,4-6,10,13-21H2,1-3H3/t23-,24-,25-,26-,27+,28-,29-,30+,31-,32+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421178
PNG
(CHEMBL2086783)
Show SMILES CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421173
PNG
(CHEMBL2086778)
Show SMILES C[C@](O)(CCCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C30H46O3/c1-28-16-13-21(31)18-25(28)26(32)19-22-23-11-12-27(29(23,2)17-14-24(22)28)30(3,33)15-7-10-20-8-5-4-6-9-20/h4-6,8-9,21-27,31-33H,7,10-19H2,1-3H3/t21-,22-,23-,24-,25+,26-,27-,28+,29-,30-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421175
PNG
(CHEMBL2086780)
Show SMILES C[C@](O)(CCCc1ccncc1)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C29H45NO3/c1-27-13-8-20(31)17-24(27)25(32)18-21-22-6-7-26(28(22,2)14-9-23(21)27)29(3,33)12-4-5-19-10-15-30-16-11-19/h10-11,15-16,20-26,31-33H,4-9,12-14,17-18H2,1-3H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421170
PNG
(CHEMBL2086775 | CHEMBL2086786)
Show SMILES CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3/h18-24,28-30H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421174
PNG
(CHEMBL2086779)
Show SMILES C[C@](O)(CCCc1cccnc1)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C29H45NO3/c1-27-13-10-20(31)16-24(27)25(32)17-21-22-8-9-26(28(22,2)14-11-23(21)27)29(3,33)12-4-6-19-7-5-15-30-18-19/h5,7,15,18,20-26,31-33H,4,6,8-14,16-17H2,1-3H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421180
PNG
(CHEMBL2086785)
Show SMILES CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421171
PNG
(CHEMBL2086776)
Show SMILES CCCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C28H50O3/c1-5-6-7-8-9-14-28(4,31)25-11-10-21-20-18-24(30)23-17-19(29)12-15-26(23,2)22(20)13-16-27(21,25)3/h19-25,29-31H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421180
PNG
(CHEMBL2086785)
Show SMILES CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C27H48O3/c1-17(2)7-6-12-27(5,30)24-9-8-20-19-16-23(29)22-15-18(28)10-13-25(22,3)21(19)11-14-26(20,24)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19-,20-,21-,22+,23-,24-,25+,26-,27-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%