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Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50008531   
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
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520183
PNG
(CHEMBL4537000)
Show SMILES Cn1cc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C30H31N5O2/c1-33-18-23(25-11-4-5-12-27(25)33)19-34-14-13-28-26(20-34)29(32-35(28)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,18,36H,13-17,19-20H2,1H3,(H,31,37)
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n/an/an/an/a 4.39E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304004
PNG
(US10138242, Compound 91)
Show SMILES COc1ccc(CN2CCc3nn4CCN(Cc5cccc6ccccc56)C(=O)c4c3C2)c2ccccc12
Show InChI InChI=1S/C32H30N4O2/c1-38-30-14-13-24(26-11-4-5-12-27(26)30)19-34-16-15-29-28(21-34)31-32(37)35(17-18-36(31)33-29)20-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21H2,1H3
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520184
PNG
(CHEMBL4457312)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(O)c4ccccc34)CCc12
Show InChI InChI=1S/C31H30N4O3/c36-17-16-35-28-14-15-34(19-23-12-13-29(37)26-11-4-3-10-25(23)26)20-27(28)30(33-35)31(38)32-18-22-8-5-7-21-6-1-2-9-24(21)22/h1-13,36-37H,14-20H2,(H,32,38)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303955
PNG
(US10138242, Compound 41)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(OC(F)(F)F)cc3)CCc12
Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)38-22-10-8-19(9-11-22)17-34-13-12-25-24(18-34)26(33-35(25)14-15-36)27(37)32-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,36H,12-18H2,(H,32,37)
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n/an/an/an/a 1.16E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520185
PNG
(CHEMBL4463820)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCn2cccn2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C35H34N6O2/c1-43-33-15-14-27(29-12-4-5-13-30(29)33)23-39-19-16-32-31(24-39)34(38-41(32)21-20-40-18-7-17-37-40)35(42)36-22-26-10-6-9-25-8-2-3-11-28(25)26/h2-15,17-18H,16,19-24H2,1H3,(H,36,42)
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n/an/an/an/a 9.45E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303933
PNG
(US10138242, Compound 19)
Show SMILES OCCn1nc(C(=O)NCc2ccccc2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C25H27N5O2/c31-13-12-30-23-10-11-29(16-19-15-26-22-9-5-4-8-20(19)22)17-21(23)24(28-30)25(32)27-14-18-6-2-1-3-7-18/h1-9,15,26,31H,10-14,16-17H2,(H,27,32)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520186
PNG
(CHEMBL4461305)
Show SMILES OC(=O)Cn1nc(C(=O)NCc2ccccc2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C25H25N5O3/c31-23(32)16-30-22-10-11-29(14-18-13-26-21-9-5-4-8-19(18)21)15-20(22)24(28-30)25(33)27-12-17-6-2-1-3-7-17/h1-9,13,26H,10-12,14-16H2,(H,27,33)(H,31,32)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303917
PNG
(US10138242, Compound 3)
Show SMILES CCOC(=O)n1nc(C(=O)NCc2ccccc2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C26H27N5O3/c1-2-34-26(33)31-23-12-13-30(16-19-15-27-22-11-7-6-10-20(19)22)17-21(23)24(29-31)25(32)28-14-18-8-4-3-5-9-18/h3-11,15,27H,2,12-14,16-17H2,1H3,(H,28,32)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303971
PNG
(US10138242, Compound 57)
Show SMILES OCCn1nc(C(=O)NCc2cccc(Cl)c2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C25H26ClN5O2/c26-19-5-3-4-17(12-19)13-28-25(33)24-21-16-30(9-8-23(21)31(29-24)10-11-32)15-18-14-27-22-7-2-1-6-20(18)22/h1-7,12,14,27,32H,8-11,13,15-16H2,(H,28,33)
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n/an/an/an/a 2.18E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303969
PNG
(US10138242, Compound 55)
Show SMILES Cc1cccc(CNC(=O)c2nn(CCO)c3CCN(Cc4c[nH]c5ccccc45)Cc23)c1
Show InChI InChI=1S/C26H29N5O2/c1-18-5-4-6-19(13-18)14-28-26(33)25-22-17-30(10-9-24(22)31(29-25)11-12-32)16-20-15-27-23-8-3-2-7-21(20)23/h2-8,13,15,27,32H,9-12,14,16-17H2,1H3,(H,28,33)
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n/an/an/an/a 2.44E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303946
PNG
(US10138242, Compound 32)
Show SMILES Cn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C28H27N5O/c1-32-26-13-14-33(17-21-16-29-25-12-5-4-11-23(21)25)18-24(26)27(31-32)28(34)30-15-20-9-6-8-19-7-2-3-10-22(19)20/h2-12,16,29H,13-15,17-18H2,1H3,(H,30,34)
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n/an/an/an/a 5.11E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303948
PNG
(US10138242, Compound 34)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-22-17-30-26-11-4-3-10-24(22)26)19-25(27)28(32-34)29(36)31-16-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,17,30,35H,12-16,18-19H2,(H,31,36)
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n/an/an/an/a 5.79E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303939
PNG
(US10138242, Compound 25)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C24H28N4O3/c1-31-20-9-7-19(8-10-20)16-27-12-11-22-21(17-27)23(26-28(22)13-14-29)24(30)25-15-18-5-3-2-4-6-18/h2-10,29H,11-17H2,1H3,(H,25,30)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520187
PNG
(CHEMBL4469703)
Show SMILES CC(=O)n1cc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C31H31N5O3/c1-21(38)35-19-24(26-11-4-5-12-28(26)35)18-34-14-13-29-27(20-34)30(33-36(29)15-16-37)31(39)32-17-23-9-6-8-22-7-2-3-10-25(22)23/h2-12,19,37H,13-18,20H2,1H3,(H,32,39)
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n/an/an/an/a 1.41E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520188
PNG
(CHEMBL4453144)
Show SMILES CS(=O)(=O)n1cc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C30H31N5O4S/c1-40(38,39)35-19-23(25-11-4-5-12-28(25)35)18-33-14-13-27-26(20-33)29(32-34(27)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,19,36H,13-18,20H2,1H3,(H,31,37)
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n/an/an/an/a 1.76E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303958
PNG
(US10138242, Compound 44)
Show SMILES COc1cccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)c[nH]c12
Show InChI InChI=1S/C30H31N5O3/c1-38-27-11-5-10-24-22(17-31-28(24)27)18-34-13-12-26-25(19-34)29(33-35(26)14-15-36)30(37)32-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,31,36H,12-16,18-19H2,1H3,(H,32,37)
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n/an/an/an/a 5.19E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303957
PNG
(US10138242, Compound 43)
Show SMILES COC(=O)c1cccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)c[nH]c12
Show InChI InChI=1S/C31H31N5O4/c1-40-31(39)25-11-5-10-24-22(17-32-28(24)25)18-35-13-12-27-26(19-35)29(34-36(27)14-15-37)30(38)33-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,32,37H,12-16,18-19H2,1H3,(H,33,38)
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n/an/an/an/a 5.95E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304020
PNG
(US10138242, Compound 109)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3cc4ccccc4[nH]3)CCc12
Show InChI InChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-23-16-21-7-2-4-11-26(21)31-23)19-25(27)28(32-34)29(36)30-17-22-9-5-8-20-6-1-3-10-24(20)22/h1-11,16,31,35H,12-15,17-19H2,(H,30,36)
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n/an/an/an/a 3.55E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303950
PNG
(US10138242, Compound 36)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H32N4O3/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(34-36(29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14,37H,15-21H2,1H3,(H,33,38)
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n/an/an/an/a 3.97E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520189
PNG
(CHEMBL4468687)
Show SMILES CSc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H32N4O2S/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(34-36(29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14,37H,15-21H2,1H3,(H,33,38)
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n/an/an/an/a 3.24E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520190
PNG
(CHEMBL4461891)
Show SMILES C[S+]([O-])c1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H32N4O3S/c1-40(39)30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(34-36(29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14,37H,15-21H2,1H3,(H,33,38)
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n/an/an/an/a 4.37E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303961
PNG
(US10138242, Compound 47)
Show SMILES Cc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4O2/c1-20-9-11-21(12-10-20)18-31-14-13-26-25(19-31)27(30-32(26)15-16-33)28(34)29-17-23-7-4-6-22-5-2-3-8-24(22)23/h2-12,33H,13-19H2,1H3,(H,29,34)
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n/an/an/an/a 1.81E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303965
PNG
(US10138242, Compound 51)
Show SMILES CCOc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H32N4O3/c1-2-36-24-12-10-21(11-13-24)19-32-15-14-27-26(20-32)28(31-33(27)16-17-34)29(35)30-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,34H,2,14-20H2,1H3,(H,30,35)
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n/an/an/an/a 1.13E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303966
PNG
(US10138242, Compound 52)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(Cl)c(Cl)c3)CCc12
Show InChI InChI=1S/C27H26Cl2N4O2/c28-23-9-8-18(14-24(23)29)16-32-11-10-25-22(17-32)26(31-33(25)12-13-34)27(35)30-15-20-6-3-5-19-4-1-2-7-21(19)20/h1-9,14,34H,10-13,15-17H2,(H,30,35)
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n/an/an/an/a 9.55E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520191
PNG
(CHEMBL4556975)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(CC3Cc4ccccc4C3)CCc12
Show InChI InChI=1S/C30H32N4O2/c35-15-14-34-28-12-13-33(19-21-16-23-7-1-2-8-24(23)17-21)20-27(28)29(32-34)30(36)31-18-25-10-5-9-22-6-3-4-11-26(22)25/h1-11,21,35H,12-20H2,(H,31,36)
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n/an/an/an/a 4.22E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520192
PNG
(CHEMBL4439377)
Show SMILES COc1ccc(CN2CCc3nn4C(=O)N(Cc5cccc6ccccc56)Cc4c3C2)c2ccccc12
Show InChI InChI=1S/C31H28N4O2/c1-37-30-14-13-23(25-11-4-5-12-26(25)30)17-33-16-15-28-27(19-33)29-20-34(31(36)35(29)32-28)18-22-9-6-8-21-7-2-3-10-24(21)22/h2-14H,15-20H2,1H3
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304006
PNG
(US10138242, Compound 95)
Show SMILES CNCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(OC)c4ccccc34)CCc12
Show InChI InChI=1S/C33H35N5O2/c1-34-17-19-38-30-16-18-37(21-25-14-15-31(40-2)28-13-6-5-12-27(25)28)22-29(30)32(36-38)33(39)35-20-24-10-7-9-23-8-3-4-11-26(23)24/h3-15,34H,16-22H2,1-2H3,(H,35,39)
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n/an/an/an/a 9.31E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304013
PNG
(US10138242, Compound 102)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN(C)C)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H37N5O2/c1-37(2)19-20-39-31-17-18-38(22-26-15-16-32(41-3)29-14-7-6-13-28(26)29)23-30(31)33(36-39)34(40)35-21-25-11-8-10-24-9-4-5-12-27(24)25/h4-16H,17-23H2,1-3H3,(H,35,40)
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n/an/an/an/a 8.69E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304007
PNG
(US10138242, Compound 96)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCn2ccnc2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C35H34N6O2/c1-43-33-14-13-27(29-11-4-5-12-30(29)33)22-40-17-15-32-31(23-40)34(38-41(32)20-19-39-18-16-36-24-39)35(42)37-21-26-9-6-8-25-7-2-3-10-28(25)26/h2-14,16,18,24H,15,17,19-23H2,1H3,(H,37,42)
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n/an/an/an/a 7.25E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304023
PNG
(US10138242, Compound 112)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCNC(C)=O)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H35N5O3/c1-23(40)35-17-19-39-31-16-18-38(21-26-14-15-32(42-2)29-13-6-5-12-28(26)29)22-30(31)33(37-39)34(41)36-20-25-10-7-9-24-8-3-4-11-27(24)25/h3-15H,16-22H2,1-2H3,(H,35,40)(H,36,41)
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n/an/an/an/a 3.35E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304010
PNG
(US10138242, Compound 99)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCNC(C)(C)CO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C36H41N5O3/c1-36(2,24-42)38-18-20-41-32-17-19-40(22-27-15-16-33(44-3)30-14-7-6-13-29(27)30)23-31(32)34(39-41)35(43)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,38,42H,17-24H2,1-3H3,(H,37,43)
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n/an/an/an/a 9.31E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520193
PNG
(CHEMBL4583392)
Show SMILES [I-].COc1ccc(C[N+]2(C)CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H34N4O3.HI/c1-37(21-25-14-15-31(40-2)28-13-6-5-12-27(25)28)18-16-30-29(22-37)32(35-36(30)17-19-38)33(39)34-20-24-10-7-9-23-8-3-4-11-26(23)24;/h3-15,38H,16-22H2,1-2H3;1H
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n/an/an/an/a 3.40E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520194
PNG
(CHEMBL4579832)
Show SMILES COc1ccc(CN2Cc3c(C2)n(CCN)nc3C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C31H31N5O2/c1-38-29-14-13-23(25-11-4-5-12-26(25)29)18-35-19-27-28(20-35)36(16-15-32)34-30(27)31(37)33-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-14H,15-20,32H2,1H3,(H,33,37)
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n/an/an/an/a 4.38E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520195
PNG
(CHEMBL4591370)
Show SMILES COc1ccc(CN2Cc3c(C2)n(CCNC(C)(C)CO)nc3C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C35H39N5O3/c1-35(2,23-41)37-17-18-40-31-22-39(20-26-15-16-32(43-3)29-14-7-6-13-28(26)29)21-30(31)33(38-40)34(42)36-19-25-11-8-10-24-9-4-5-12-27(24)25/h4-16,37,41H,17-23H2,1-3H3,(H,36,42)
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n/an/an/an/a 3.48E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303916
PNG
(US10138242, Compound 2)
Show SMILES CCOC(=O)Cn1nc(C(=O)NCc2ccccc2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C27H29N5O3/c1-2-35-25(33)18-32-24-12-13-31(16-20-15-28-23-11-7-6-10-21(20)23)17-22(24)26(30-32)27(34)29-14-19-8-4-3-5-9-19/h3-11,15,28H,2,12-14,16-18H2,1H3,(H,29,34)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303970
PNG
(US10138242, Compound 56)
Show SMILES OCCn1nc(C(=O)NCc2cccc(c2)C(F)(F)F)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C26H26F3N5O2/c27-26(28,29)19-5-3-4-17(12-19)13-31-25(36)24-21-16-33(9-8-23(21)34(32-24)10-11-35)15-18-14-30-22-7-2-1-6-20(18)22/h1-7,12,14,30,35H,8-11,13,15-16H2,(H,31,36)
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n/an/an/an/a 4.27E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303935
PNG
(US10138242, Compound 21)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C28H30N4O3/c1-35-26-12-11-21(22-9-5-6-10-23(22)26)18-31-14-13-25-24(19-31)27(30-32(25)15-16-33)28(34)29-17-20-7-3-2-4-8-20/h2-12,33H,13-19H2,1H3,(H,29,34)
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n/an/an/an/a 1.35E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520196
PNG
(CHEMBL4545031)
Show SMILES COc1cccc2c(CN3CCc4c(C3)c(nn4CCO)C(=O)NCc3cccc4ccccc34)cn(C)c12
Show InChI InChI=1S/C31H33N5O3/c1-34-18-23(25-11-6-12-28(39-2)30(25)34)19-35-14-13-27-26(20-35)29(33-36(27)15-16-37)31(38)32-17-22-9-5-8-21-7-3-4-10-24(21)22/h3-12,18,37H,13-17,19-20H2,1-2H3,(H,32,38)
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n/an/an/an/a 2.39E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520197
PNG
(CHEMBL4475531)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)c2CCCCc12
Show InChI InChI=1S/C32H36N4O3/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-35-16-15-29-28(21-35)31(34-36(29)17-18-37)32(38)33-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-3,6-10,13-14,37H,4-5,11-12,15-21H2,1H3,(H,33,38)
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n/an/an/an/a 6.08E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303960
PNG
(US10138242, Compound 46)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccccc3)CCc12
Show InChI InChI=1S/C27H28N4O2/c32-16-15-31-25-13-14-30(18-20-7-2-1-3-8-20)19-24(25)26(29-31)27(33)28-17-22-11-6-10-21-9-4-5-12-23(21)22/h1-12,32H,13-19H2,(H,28,33)
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n/an/an/an/a 5.03E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520198
PNG
(CHEMBL4439649)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1OC
Show InChI InChI=1S/C29H32N4O4/c1-36-26-11-10-20(16-27(26)37-2)18-32-13-12-25-24(19-32)28(31-33(25)14-15-34)29(35)30-17-22-8-5-7-21-6-3-4-9-23(21)22/h3-11,16,34H,12-15,17-19H2,1-2H3,(H,30,35)
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n/an/an/an/a 1.38E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304008
PNG
(US10138242, Compound 97)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H33N5O2/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-36-17-15-29-28(21-36)31(35-37(29)18-16-33)32(38)34-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21,33H2,1H3,(H,34,38)
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n/an/an/an/a 1.93E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303927
PNG
(US10138242, Compound 13)
Show SMILES COc1ccc(CN2CCc3c(C2)c(nn3CCN2CCOCC2)C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C36H39N5O3/c1-43-34-14-13-28(30-11-4-5-12-31(30)34)24-40-16-15-33-32(25-40)35(38-41(33)18-17-39-19-21-44-22-20-39)36(42)37-23-27-9-6-8-26-7-2-3-10-29(26)27/h2-14H,15-25H2,1H3,(H,37,42)
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n/an/an/an/a 1.66E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520199
PNG
(CHEMBL4436884)
Show SMILES COc1ccc(CN2Cc3c(C2)n(CCO)nc3C(=O)NCc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C31H30N4O3/c1-38-29-14-13-23(25-11-4-5-12-26(25)29)18-34-19-27-28(20-34)35(15-16-36)33-30(27)31(37)32-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-14,36H,15-20H2,1H3,(H,32,37)
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n/an/an/an/a 1.53E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM304002
PNG
(US10138242, Compound 88)
Show SMILES Cn1nc2CCN(Cc3c[nH]c4ccccc34)Cc2c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H25N5O/c1-28-23(24(30)26-13-17-7-3-2-4-8-17)20-16-29(12-11-22(20)27-28)15-18-14-25-21-10-6-5-9-19(18)21/h2-10,14,25H,11-13,15-16H2,1H3,(H,26,30)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303972
PNG
(US10138242, Compound 58)
Show SMILES OCCn1nc(C(=O)NCc2ccc(Cl)cc2)c2CN(Cc3c[nH]c4ccccc34)CCc12
Show InChI InChI=1S/C25H26ClN5O2/c26-19-7-5-17(6-8-19)13-28-25(33)24-21-16-30(10-9-23(21)31(29-24)11-12-32)15-18-14-27-22-4-2-1-3-20(18)22/h1-8,14,27,32H,9-13,15-16H2,(H,28,33)
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n/an/an/an/a 5.55E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303949
PNG
(US10138242, Compound 35)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3cccc4ccccc34)CCc12
Show InChI InChI=1S/C31H30N4O2/c36-18-17-35-29-15-16-34(20-25-12-6-10-23-8-2-4-14-27(23)25)21-28(29)30(33-35)31(37)32-19-24-11-5-9-22-7-1-3-13-26(22)24/h1-14,36H,15-21H2,(H,32,37)
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303964
PNG
(US10138242, Compound 50)
Show SMILES CC(C)c1ccc(CN2CCc3c(C2)c(nn3CCO)C(=O)NCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H34N4O2/c1-21(2)23-12-10-22(11-13-23)19-33-15-14-28-27(20-33)29(32-34(28)16-17-35)30(36)31-18-25-8-5-7-24-6-3-4-9-26(24)25/h3-13,21,35H,14-20H2,1-2H3,(H,31,36)
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n/an/an/an/a 1.49E+5n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM50520200
PNG
(CHEMBL4468339)
Show SMILES COc1ccc(CN2CCc3c(C2)c(CNS(=O)(=O)c2cccc4ccccc24)nn3CCO)c2ccccc12
Show InChI InChI=1S/C31H32N4O4S/c1-39-30-14-13-23(24-9-4-5-11-26(24)30)20-34-16-15-29-27(21-34)28(33-35(29)17-18-36)19-32-40(37,38)31-12-6-8-22-7-2-3-10-25(22)31/h2-14,32,36H,15-21H2,1H3
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n/an/an/an/a>1.00E+6n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
Peroxisomal membrane protein PEX14


(Homo sapiens (Human))		BDBM303956
PNG
(US10138242, Compound 42)
Show SMILES OCCn1nc(C(=O)NCc2cccc3ccccc23)c2CN(Cc3ccc(Cl)cc3)CCc12
Show InChI InChI=1S/C27H27ClN4O2/c28-22-10-8-19(9-11-22)17-31-13-12-25-24(18-31)26(30-32(25)14-15-33)27(34)29-16-21-6-3-5-20-4-1-2-7-23(20)21/h1-11,33H,12-18H2,(H,29,34)
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n/an/an/an/a 8.61E+4n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli B...

J Med Chem 63: 847-879 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01876
BindingDB Entry DOI: 10.7270/Q20G3PJ1
More data for this
Ligand-Target Pair
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