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Compile Data Set for Download or QSAR

Found 235 hits Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein'   
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))
BDBM50393850
PNG
(CHEMBL2160030)
Show SMILES CN[C@H]1CC[C@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cccc(Cl)c2c1Cl
Show InChI InChI=1S/C28H27Cl2N3OS/c1-31-21-8-10-22(11-9-21)33(17-18-4-2-5-20(16-18)19-12-14-32-15-13-19)28(34)27-26(30)25-23(29)6-3-7-24(25)35-27/h2-7,12-16,21-22,31H,8-11,17H2,1H3/t21-,22+
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n/an/an/an/a 7.60n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50393851
PNG
(CHEMBL1221983)
Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-
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n/an/an/an/a 8.80n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50393849
PNG
(CHEMBL2160031)
Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cccc(Cl)c2c1Cl
Show InChI InChI=1S/C28H27Cl2N3OS/c1-31-21-8-10-22(11-9-21)33(17-18-4-2-5-20(16-18)19-12-14-32-15-13-19)28(34)27-26(30)25-23(29)6-3-7-24(25)35-27/h2-7,12-16,21-22,31H,8-11,17H2,1H3/t21-,22-
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n/an/an/an/a 21.9n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50249520
PNG
(CHEMBL516246 | N-(4-chloro-3-(5-(dimethylamino)-1H...)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(cc2[nH]1)N(C)C
Show InChI InChI=1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,28)
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n/an/an/an/a 40n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50393848
PNG
(CHEMBL2160032)
Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O2/c1-31-26-10-12-27(13-11-26)33(21-22-6-5-9-25(20-22)23-16-18-32-19-17-23)30(34)29-15-14-28(35-29)24-7-3-2-4-8-24/h2-9,14-20,26-27,31H,10-13,21H2,1H3/t26-,27-
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n/an/an/an/a 53.8n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50393847
PNG
(CHEMBL2160033)
Show SMILES CN[C@H]1CC[C@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23+
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n/an/an/an/a 61.8n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50393846
PNG
(CHEMBL2160034)
Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1[nH]c2ccccc2c1Cl
Show InChI InChI=1S/C28H29ClN4O/c1-30-22-9-11-23(12-10-22)33(28(34)27-26(29)24-7-2-3-8-25(24)32-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30,32H,9-12,18H2,1H3/t22-,23-
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n/an/an/an/a 118n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50393845
PNG
(CHEMBL2160035)
Show SMILES CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1sc2cc(F)ccc2c1Cl
Show InChI InChI=1S/C28H27ClFN3OS/c1-31-22-6-8-23(9-7-22)33(17-18-3-2-4-20(15-18)19-11-13-32-14-12-19)28(34)27-26(29)24-10-5-21(30)16-25(24)35-27/h2-5,10-16,22-23,31H,6-9,17H2,1H3/t22-,23-
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n/an/an/an/a 176n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay


Bioorg Med Chem 20: 6465-81 (2012)


Article DOI: 10.1016/j.bmc.2012.08.026
BindingDB Entry DOI: 10.7270/Q24Q7W3V
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50249182
PNG
((1'S,2S,2'R,3R,3aS,6S,7aR,10'S,11'S)-2',3,6,16'-te...)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1
Show InChI InChI=1S/C28H41NO2/c1-16-11-25-26(29-15-16)18(3)28(31-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h12,16,18,21-22,24-26,29H,5-11,13-15H2,1-4H3/t16-,18+,21-,22-,24-,25+,26-,27-,28-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
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
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))
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
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))
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
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))
BDBM50232973
PNG
(CHEMBL254129 | CYCLOPAMINE)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay


J Med Chem 52: 3829-45 (2009)


Article DOI: 10.1021/jm801420y
BindingDB Entry DOI: 10.7270/Q22N536M
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
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))
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
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))
BDBM50324671
PNG
(CHEMBL1221984 | Purmorphamine)
Show SMILES C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12
Show InChI InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Stanford University School of Medicine

Curated by ChEMBL


Assay Description
Activation of Shh in mouse Shh Light2 cells after 30 hrs by luciferase reporter gene assay


Nat Chem Biol 2: 29-30 (2006)


Article DOI: 10.1038/nchembio753
BindingDB Entry DOI: 10.7270/Q2736R40
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
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
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
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))
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
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))
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
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))
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
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))
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
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))
BDBM50249181
PNG
(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22-/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50249181
PNG
(CHEMBL473392 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,1...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22-/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of sonic hedgehog pathway in mouse NIH-3T3 cells


J Med Chem 54: 1961-2004 (2011)


Article DOI: 10.1021/jm1012374
BindingDB Entry DOI: 10.7270/Q28C9XDV
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311518
PNG
(CHEMBL1087150 | N-(4-chlorobenzyl)-2-((2R,6R,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29ClN2O4/c27-22-14-12-19(13-15-22)17-28-24(30)16-21-10-4-1-2-7-11-25(31)33-23(18-29-26(21)32)20-8-5-3-6-9-20/h1,3-6,8-9,12-15,21,23H,2,7,10-11,16-18H2,(H,28,30)(H,29,32)/b4-1+/t21-,23+/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
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
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))
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
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))
BDBM50311520
PNG
(CHEMBL1087530 | N-(4-chlorobenzyl)-2-((2R,6R,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22+/m1/s1
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n/an/an/an/a 7.00E+3n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
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
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))
BDBM50311521
PNG
(CHEMBL1081556 | N-(4-chlorobenzyl)-2-((2S,6S,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22+/m0/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
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
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))
BDBM50311524
PNG
(CHEMBL1079558 | N-(4-chlorobenzyl)-2-((2S,6R,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15-17H2,(H,27,29)(H,28,31)/b5-2+/t20-,22-/m1/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311519
PNG
(CHEMBL1088172 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29ClN2O4/c27-22-14-12-19(13-15-22)17-28-24(30)16-21-10-4-1-2-7-11-25(31)33-23(18-29-26(21)32)20-8-5-3-6-9-20/h1,3-6,8-9,12-15,21,23H,2,7,10-11,16-18H2,(H,28,30)(H,29,32)/b4-1+/t21-,23-/m0/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311517
PNG
((R,E)-N-(4-chlorobenzyl)-2-(5,12-dioxo-1-oxa-4-aza...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCC(=O)OCCNC2=O)cc1
Show InChI InChI=1S/C19H23ClN2O4/c20-16-8-6-14(7-9-16)13-22-17(23)12-15-4-2-1-3-5-18(24)26-11-10-21-19(15)25/h1-2,6-9,15H,3-5,10-13H2,(H,21,25)(H,22,23)/b2-1+/t15-/m1/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311522
PNG
(CHEMBL1080649 | N-(4-chlorobenzyl)-2-((2S,6S,E)-5,...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCC(=O)O[C@H](CNC2=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29ClN2O4/c27-22-14-12-19(13-15-22)17-28-24(30)16-21-10-4-1-2-7-11-25(31)33-23(18-29-26(21)32)20-8-5-3-6-9-20/h1,3-6,8-9,12-15,21,23H,2,7,10-11,16-18H2,(H,28,30)(H,29,32)/b4-1+/t21-,23+/m0/s1
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n/an/an/an/a 2.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311529
PNG
((R,E)-N-(4-chlorobenzyl)-2-(5,14-dioxo-1-oxa-4-aza...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCCCC(=O)OCCNC2=O)cc1
Show InChI InChI=1S/C21H27ClN2O4/c22-18-10-8-16(9-11-18)15-24-19(25)14-17-6-4-2-1-3-5-7-20(26)28-13-12-23-21(17)27/h2,4,8-11,17H,1,3,5-7,12-15H2,(H,23,27)(H,24,25)/b4-2+/t17-/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311530
PNG
((R,E)-N-(4-chlorobenzyl)-2-(5,13-dioxo-1-oxa-4-aza...)
Show SMILES Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCCC(=O)OCCNC2=O)cc1
Show InChI InChI=1S/C20H25ClN2O4/c21-17-9-7-15(8-10-17)14-23-18(24)13-16-5-3-1-2-4-6-19(25)27-12-11-22-20(16)26/h1,3,7-10,16H,2,4-6,11-14H2,(H,22,26)(H,23,24)/b3-1+/t16-/m1/s1
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n/an/an/an/a 3.10E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311526
PNG
((S,E)-N-(4-chlorobenzyl)-2-(5,14-dioxo-1-oxa-4-aza...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCCC(=O)OCCNC2=O)cc1
Show InChI InChI=1S/C21H27ClN2O4/c22-18-10-8-16(9-11-18)15-24-19(25)14-17-6-4-2-1-3-5-7-20(26)28-13-12-23-21(17)27/h2,4,8-11,17H,1,3,5-7,12-15H2,(H,23,27)(H,24,25)/b4-2+/t17-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311527
PNG
((S,E)-N-(4-chlorobenzyl)-2-(5,12-dioxo-1-oxa-4-aza...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCC(=O)OCCNC2=O)cc1
Show InChI InChI=1S/C19H23ClN2O4/c20-16-8-6-14(7-9-16)13-22-17(23)12-15-4-2-1-3-5-18(24)26-11-10-21-19(15)25/h1-2,6-9,15H,3-5,10-13H2,(H,21,25)(H,22,23)/b2-1+/t15-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50311528
PNG
((S,E)-N-(4-chlorobenzyl)-2-(5,13-dioxo-1-oxa-4-aza...)
Show SMILES Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCC(=O)OCCNC2=O)cc1
Show InChI InChI=1S/C20H25ClN2O4/c21-17-9-7-15(8-10-17)14-23-18(24)13-16-5-3-1-2-4-6-19(25)27-12-11-22-20(16)26/h1,3,7-10,16H,2,4-6,11-14H2,(H,22,26)(H,23,24)/b3-1+/t16-/m0/s1
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n/an/an/an/a 7.00E+4n/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay


Bioorg Med Chem Lett 19: 6319-25 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.089
BindingDB Entry DOI: 10.7270/Q2WW7HST
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189251
PNG
(US9173869, 5)
Show SMILES Fc1ccc(cc1)-n1c(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)nc2ccccc2c1=O
Show InChI InChI=1S/C23H15ClF4N4O2/c24-18-10-7-14(11-17(18)23(26,27)28)30-22(34)29-12-20-31-19-4-2-1-3-16(19)21(33)32(20)15-8-5-13(25)6-9-15/h1-11H,12H2,(H2,29,30,34)
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n/an/a<100n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189252
PNG
(US9173869, 6)
Show SMILES Fc1ccc(cc1)-n1c(CNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2ccccc2c1=O
Show InChI InChI=1S/C21H14Cl2FN5O2/c22-17-9-13(10-18(23)28-17)26-21(31)25-11-19-27-16-4-2-1-3-15(16)20(30)29(19)14-7-5-12(24)6-8-14/h1-10H,11H2,(H2,25,26,28,31)
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n/an/a<500n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189253
PNG
(US9173869, 11)
Show SMILES CC(N(C)C(=O)Nc1cccc(c1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F4N4O2/c1-15(32(2)24(35)30-18-7-5-6-16(14-18)25(27,28)29)22-31-21-9-4-3-8-20(21)23(34)33(22)19-12-10-17(26)11-13-19/h3-15H,1-2H3,(H,30,35)
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n/an/a<5.00E+3n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189254
PNG
(US9173869, 31)
Show SMILES CC(N(Cc1ccco1)C(=O)Nc1cccc(F)c1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C28H22F2N4O3/c1-18(33(17-23-8-5-15-37-23)28(36)31-21-7-4-6-20(30)16-21)26-32-25-10-3-2-9-24(25)27(35)34(26)22-13-11-19(29)12-14-22/h2-16,18H,17H2,1H3,(H,31,36)
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n/an/a<1.00E+4n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189255
PNG
(US9173869, 32)
Show SMILES CCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F4N4O2/c1-3-33(25(36)31-19-8-6-7-17(15-19)26(28,29)30)16(2)23-32-22-10-5-4-9-21(22)24(35)34(23)20-13-11-18(27)12-14-20/h4-16H,3H2,1-2H3,(H,31,36)
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n/an/a<5.00E+3n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189256
PNG
(US9173869, 34)
Show SMILES CCCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClFN4O2/c1-3-15-31(26(34)29-20-8-6-7-18(27)16-20)17(2)24-30-23-10-5-4-9-22(23)25(33)32(24)21-13-11-19(28)12-14-21/h4-14,16-17H,3,15H2,1-2H3,(H,29,34)
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n/an/a<5.00E+3n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189257
PNG
(US9173869, 36)
Show SMILES CCCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F4N4O2/c1-3-15-34(26(37)32-20-8-6-7-18(16-20)27(29,30)31)17(2)24-33-23-10-5-4-9-22(23)25(36)35(24)21-13-11-19(28)12-14-21/h4-14,16-17H,3,15H2,1-2H3,(H,32,37)
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n/an/a<5.00E+3n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189258
PNG
(US9173869, 38)
Show SMILES CCCN(C(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1cccc(OC)c1
Show InChI InChI=1S/C27H27FN4O3/c1-4-16-31(27(34)29-20-8-7-9-22(17-20)35-3)18(2)25-30-24-11-6-5-10-23(24)26(33)32(25)21-14-12-19(28)13-15-21/h5-15,17-18H,4,16H2,1-3H3,(H,29,34)
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n/an/a<5.00E+3n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189259
PNG
(US9173869, 39)
Show SMILES CCC(N(CCc1ccccc1)C(=O)CCCCF)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C31H34FN3O2/c1-3-28(34(29(36)15-9-10-21-32)22-20-24-11-5-4-6-12-24)30-33-27-14-8-7-13-26(27)31(37)35(30)25-18-16-23(2)17-19-25/h4-8,11-14,16-19,28H,3,9-10,15,20-22H2,1-2H3
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n/an/a<5.00E+3n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM189260
PNG
(US9173869, 40)
Show SMILES CCCCc1ccc(cc1)C(=O)N(Cc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C36H37N3O2/c1-4-6-12-27-19-21-29(22-20-27)35(40)38(25-28-13-8-7-9-14-28)33(5-2)34-37-32-16-11-10-15-31(32)36(41)39(34)30-23-17-26(3)18-24-30/h7-11,13-24,33H,4-6,12,25H2,1-3H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



CURIS, INC.

US Patent


Assay Description
Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construc...


US Patent US9173869 (2015)


BindingDB Entry DOI: 10.7270/Q2Z036X1
More data for this
Ligand-Target Pair
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