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PubMed code 26110200

Compile data set for download or QSAR
Found 30 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))		BDBM50233629
PNG
(CHEMBL4080842)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H22N6O/c1-16(27-19-9-10-20(24-15-19)21-12-13-26-29(21)2)23(30)28-22-11-8-18(14-25-22)17-6-4-3-5-7-17/h3-16,27H,1-2H3,(H,25,28,30)/t16-/m0/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233628
PNG
(CHEMBL4088716)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233636
PNG
(CHEMBL4070649)
Show SMILES Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-18-25-15-16-27(18)22-11-13-23(14-12-22)29-17-24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,26,28)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233635
PNG
(CHEMBL4099279)
Show SMILES Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-27-23(15-16-25-27)20-9-13-22(14-10-20)29-17-24(28)26-21-11-7-19(8-12-21)18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,28)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233630
PNG
(CHEMBL4084739)
Show SMILES C[C@H](Nc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H21N5O/c1-17(26-20-8-10-21(11-9-20)28-14-13-24-16-28)23(29)27-22-12-7-19(15-25-22)18-5-3-2-4-6-18/h2-17,26H,1H3,(H,25,27,29)/t17-/m0/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233633
PNG
(CHEMBL4089128)
Show SMILES C[C@H](Oc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N3O2/c1-18(29-23-13-11-22(12-14-23)27-16-15-25-17-27)24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-18H,1H3,(H,26,28)/t18-/m0/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233640
PNG
(CHEMBL4098880)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H21N7O/c1-15(27-17-6-8-20(25-13-17)21-9-11-26-29(21)2)22(30)28-18-5-7-19(24-14-18)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,28,30)/t15-/m0/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233639
PNG
(CHEMBL4097104)
Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233639
PNG
(CHEMBL4097104)
Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233634
PNG
(CHEMBL4081262)
Show SMILES O=C(CNc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O/c28-23(16-25-20-10-12-22(13-11-20)27-15-14-24-17-27)26-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-15,17,25H,16H2,(H,26,28)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233641
PNG
(CHEMBL4096832)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CCCN1c1ccc(cc1)-n1ccnc1 |r|
Show InChI InChI=1S/C26H24N4O/c31-26(28-22-10-8-21(9-11-22)20-5-2-1-3-6-20)25-7-4-17-30(25)24-14-12-23(13-15-24)29-18-16-27-19-29/h1-3,5-6,8-16,18-19,25H,4,7,17H2,(H,28,31)/t25-/m0/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233637
PNG
(CHEMBL4063419)
Show SMILES O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18N2O3/c26-23(15-27-21-12-8-19(9-13-21)22-14-24-16-28-22)25-20-10-6-18(7-11-20)17-4-2-1-3-5-17/h1-14,16H,15H2,(H,25,26)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233639
PNG
(CHEMBL4097104)
Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233642
PNG
(CHEMBL4060944)
Show SMILES C[C@@H](Oc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H21N3O2/c1-18(29-23-13-11-22(12-14-23)27-16-15-25-17-27)24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-18H,1H3,(H,26,28)/t18-/m1/s1
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233631
PNG
(CHEMBL4102661)
Show SMILES C[C@@H](Nc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H21N5O/c1-17(26-20-8-10-21(11-9-20)28-14-13-24-16-28)23(29)27-22-12-7-19(15-25-22)18-5-3-2-4-6-18/h2-17,26H,1H3,(H,25,27,29)/t17-/m1/s1
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n/an/a 689n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233636
PNG
(CHEMBL4070649)
Show SMILES Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-18-25-15-16-27(18)22-11-13-23(14-12-22)29-17-24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,26,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233640
PNG
(CHEMBL4098880)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H21N7O/c1-15(27-17-6-8-20(25-13-17)21-9-11-26-29(21)2)22(30)28-18-5-7-19(24-14-18)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,28,30)/t15-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233636
PNG
(CHEMBL4070649)
Show SMILES Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-18-25-15-16-27(18)22-11-13-23(14-12-22)29-17-24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,26,28)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233628
PNG
(CHEMBL4088716)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233629
PNG
(CHEMBL4080842)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H22N6O/c1-16(27-19-9-10-20(24-15-19)21-12-13-26-29(21)2)23(30)28-22-11-8-18(14-25-22)17-6-4-3-5-7-17/h3-16,27H,1-2H3,(H,25,28,30)/t16-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233640
PNG
(CHEMBL4098880)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H21N7O/c1-15(27-17-6-8-20(25-13-17)21-9-11-26-29(21)2)22(30)28-18-5-7-19(24-14-18)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,28,30)/t15-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233635
PNG
(CHEMBL4099279)
Show SMILES Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-27-23(15-16-25-27)20-9-13-22(14-10-20)29-17-24(28)26-21-11-7-19(8-12-21)18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233629
PNG
(CHEMBL4080842)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H22N6O/c1-16(27-19-9-10-20(24-15-19)21-12-13-26-29(21)2)23(30)28-22-11-8-18(14-25-22)17-6-4-3-5-7-17/h3-16,27H,1-2H3,(H,25,28,30)/t16-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233628
PNG
(CHEMBL4088716)
Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r|
Show InChI InChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50233637
PNG
(CHEMBL4063419)
Show SMILES O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18N2O3/c26-23(15-27-21-12-8-19(9-13-21)22-14-24-16-28-22)25-20-10-6-18(7-11-20)17-4-2-1-3-5-17/h1-14,16H,15H2,(H,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233635
PNG
(CHEMBL4099279)
Show SMILES Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O2/c1-27-23(15-16-25-27)20-9-13-22(14-10-20)29-17-24(28)26-21-11-7-19(8-12-21)18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,28)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50233637
PNG
(CHEMBL4063419)
Show SMILES O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18N2O3/c26-23(15-27-21-12-8-19(9-13-21)22-14-24-16-28-22)25-20-10-6-18(7-11-20)17-4-2-1-3-5-17/h1-14,16H,15H2,(H,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233632
PNG
(CHEMBL4069613)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)[C@H]1CCCN1c1ccc(cc1)-n1ccnc1 |r|
Show InChI InChI=1S/C26H24N4O/c31-26(28-22-10-8-21(9-11-22)20-5-2-1-3-6-20)25-7-4-17-30(25)24-14-12-23(13-15-24)29-18-16-27-19-29/h1-3,5-6,8-16,18-19,25H,4,7,17H2,(H,28,31)/t25-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233638
PNG
(CHEMBL4091274)
Show SMILES O=C(COc1ccc(cc1)-n1cccc1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H20N2O2/c27-24(18-28-23-14-12-22(13-15-23)26-16-4-5-17-26)25-21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-17H,18H2,(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50233643
PNG
(CHEMBL4091543)
Show SMILES O=C(COc1ccc(cc1)-c1ccn[nH]1)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-21-12-8-19(9-13-21)22-14-15-24-26-22)25-20-10-6-18(7-11-20)17-4-2-1-3-5-17/h1-15H,16H2,(H,24,26)(H,25,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...

J Med Chem 58: 5889-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00507
BindingDB Entry DOI: 10.7270/Q29K4DG1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%