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PubMed code 26522946

Compile data set for download or QSAR
Found 9 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
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133864
PNG
(CHEMBL2139947 | US10251893, Compound 59)
Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
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n/an/a 0.0740n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity ...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133870
PNG
(CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...)
Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity ...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133865
PNG
(CHEMBL3633801)
Show SMILES C[C@@H](C(=O)Nc1ccc(cc1)-c1ccsc1)n1cnc2n(C)c(=O)n(C)c(=O)c12 |r|
Show InChI InChI=1S/C20H19N5O3S/c1-12(25-11-21-17-16(25)19(27)24(3)20(28)23(17)2)18(26)22-15-6-4-13(5-7-15)14-8-9-29-10-14/h4-12H,1-3H3,(H,22,26)/t12-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133866
PNG
(CHEMBL3633802)
Show SMILES Cn1c2ncn(CC(=O)Nc3ccc(nn3)-c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)
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n/an/a 2.90n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133868
PNG
(CHEMBL3633804)
Show SMILES Cn1c2nc3CC[C@@H](CC(=O)Nc4ccc(nn4)-c4ccccc4)n3c2c(=O)n(C)c1=O |r|
Show InChI InChI=1S/C22H21N7O3/c1-27-20-19(21(31)28(2)22(27)32)29-14(8-11-17(29)24-20)12-18(30)23-16-10-9-15(25-26-16)13-6-4-3-5-7-13/h3-7,9-10,14H,8,11-12H2,1-2H3,(H,23,26,30)/t14-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine in human HEK293 cells by STF reporter assay

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)		BDBM50133866
PNG
(CHEMBL3633802)
Show SMILES Cn1c2ncn(CC(=O)Nc3ccc(nn3)-c3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)
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n/an/a 18n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of mouse porcupine expressed in human HT1080 cells assessed as reduction in beta catenin reporter activity using firefly luciferase substr...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133869
PNG
(CHEMBL3633800)
Show SMILES COc1cc(F)ccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CCSc2c1=O |(5.3,-3.94,;6.54,-3.93,;7.31,-5.26,;6.55,-6.6,;7.32,-7.93,;6.71,-9,;8.86,-7.92,;9.63,-6.59,;8.85,-5.25,;9.62,-3.92,;8.84,-2.59,;7.3,-2.61,;6.52,-1.28,;4.98,-1.29,;4.37,-2.37,;4.2,.03,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.45,-1.38,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;9.61,-1.23,;11.15,-1.24,;12.18,-.1,;13.57,-.7,;13.43,-2.23,;11.93,-2.57,;11.18,-3.92,;11.81,-4.98,)|
Show InChI InChI=1S/C23H19FN4O3S3/c1-12-3-5-14-18(9-12)34-22(25-14)27-19(29)11-33-23-26-15-7-8-32-20(15)21(30)28(23)16-6-4-13(24)10-17(16)31-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,27,29)
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n/an/a 27n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity ...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50428029
PNG
(CHEMBL1257063)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O
Show InChI InChI=1S/C26H21N5O5S/c1-35-16-9-7-15(8-10-16)31-25(34)19-6-4-3-5-18(19)23(30-31)24(33)27-14-22(32)29-26-28-20-12-11-17(36-2)13-21(20)37-26/h3-13H,14H2,1-2H3,(H,27,33)(H,28,29,32)
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n/an/a 60n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity ...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133867
PNG
(CHEMBL3633803)
Show SMILES C[C@H](C(=O)Nc1ccc(cc1)-c1ccsc1)n1cnc2n(C)c(=O)n(C)c(=O)c12 |r|
Show InChI InChI=1S/C20H19N5O3S/c1-12(25-11-21-17-16(25)19(27)24(3)20(28)23(17)2)18(26)22-15-6-4-13(5-7-15)14-8-9-29-10-14/h4-12H,1-3H3,(H,22,26)/t12-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%