Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'lenhart' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 393 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human SHP1 (245 to 521 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins foll...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human SHP2 (246 to 527 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins foll...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human PTEN (1 to 403 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins follow...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 336 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 296 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase eta (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human PTPRJ (1019 to 1311 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins f...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50518416 (CHEMBL4476665) Show SMILES Nc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 336 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human PTPRE (107 to 707 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins fol...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50518416 (CHEMBL4476665) Show SMILES Nc1ccc(NC(=O)C(O)=O)cc1 Show InChI InChI=1S/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Zentrum M�nchen Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 393 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMU...				J Med Chem 61: 11144-11157 (2018) Article DOI: 10.1021/acs.jmedchem.8b01224 BindingDB Entry DOI: 10.7270/Q2G44TN9
					More data for this Ligand-Target Pair
Peroxisomal membrane protein PEX14 (Homo sapiens (Human))	BDBM50520183 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.39E+4	n/a	n/a	n/a	n/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))	BDBM303973 (US10138242, Compound 59) Show SMILES OCCn1nc(C(=O)NCc2ccc(F)cc2)c2CN(Cc3c[nH]c4ccccc34)CCc12 Show InChI InChI=1S/C25H26FN5O2/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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.09E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.45E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.18E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.44E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.11E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.41E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.19E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.95E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.37E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.81E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.55E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.22E+5	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.31E+3	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.69E+3	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.31E+3	n/a	n/a	n/a	n/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 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.38E+3	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.27E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.08E+4	n/a	n/a	n/a	n/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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