Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'ERO1-like protein alpha'   

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
ERO1-like protein alpha (Mus musculus)	BDBM50265447 (CHEMBL4060344) Show SMILES OC(=O)c1cc(ccc1Cl)C1C=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12| Show InChI InChI=1S/C24H14ClF3O4/c25-20-8-6-14(10-18(20)23(30)31)16-12-19(24(26,27)28)17(22(16)29)11-15-7-9-21(32-15)13-4-2-1-3-5-13/h1-12,16H,(H,30,31)/b17-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of GST-SMT3-tagged mouse ERO1alpha (23 to 464 residues) expressed in Escherichia coli rosetta (DE3) using reduced thioredoxin as substrate...				Bioorg Med Chem Lett 27: 2029-2037 (2017) Article DOI: 10.1016/j.bmcl.2017.02.068 BindingDB Entry DOI: 10.7270/Q2474DB7
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336422 (2-bromo-4-((1-(4-bromophenyl)-3,5-dioxopyrazolidin...) Show SMILES COc1cc(C=C2C(=O)NN(C2=O)c2ccc(Br)cc2)cc(Br)c1OC(C)=O |w:5.4| Show InChI InChI=1S/C19H14Br2N2O5/c1-10(24)28-17-15(21)8-11(9-16(17)27-2)7-14-18(25)22-23(19(14)26)13-5-3-12(20)4-6-13/h3-9H,1-2H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336424 (1-(4-chlorophenyl)-4-(3,4-dimethoxybenzylidene)-3-...) Show SMILES COc1ccc(\C=C2\C(=O)N(N=C2C(F)(F)F)c2ccc(Cl)cc2)cc1OC |c:11| Show InChI InChI=1S/C19H14ClF3N2O3/c1-27-15-8-3-11(10-16(15)28-2)9-14-17(19(21,22)23)24-25(18(14)26)13-6-4-12(20)5-7-13/h3-10H,1-2H3/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336428 (2-(4,5-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phen...) Show SMILES O[N+](=O)c1c(ncn1CC(=O)Nc1cc(Oc2ccccc2)cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C17H12N6O8/c24-15(9-20-10-18-16(22(27)28)17(20)23(29)30)19-11-6-12(21(25)26)8-14(7-11)31-13-4-2-1-3-5-13/h1-8,10H,9H2,(H-,19,24,29,30)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336430 (1-(4-chlorophenyl)-5-(3,4-dihydroxybenzylidene)pyr...) Show SMILES Oc1ccc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)cc1O |w:5.4| Show InChI InChI=1S/C17H11ClN2O5/c18-10-2-4-11(5-3-10)20-16(24)12(15(23)19-17(20)25)7-9-1-6-13(21)14(22)8-9/h1-8,21-22H,(H,19,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50505176 (CHEMBL4589116) Show SMILES OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C/c2ccc(o2)-c2cccc(c2)N=[N+]=[N-])C1=O)C(F)(F)F |c:12| Show InChI InChI=1S/C22H11ClF3N5O4/c23-17-6-4-13(9-15(17)21(33)34)31-20(32)16(19(29-31)22(24,25)26)10-14-5-7-18(35-14)11-2-1-3-12(8-11)28-30-27/h1-10H,(H,33,34)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of recombinant human Ero1Lalpha C104A/C131A/C166A triple mutant (22 to 468 residues) expressed in Escherichia coli BL21(DE3)-RIL measured ...				Bioorg Med Chem 27: 1479-1488 (2019) Article DOI: 10.1016/j.bmc.2019.02.016 BindingDB Entry DOI: 10.7270/Q2571G9S
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50505175 (CHEMBL4303182) Show SMILES OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12| Show InChI InChI=1S/C22H12ClF3N2O4/c23-17-8-6-13(10-15(17)21(30)31)28-20(29)16(19(27-28)22(24,25)26)11-14-7-9-18(32-14)12-4-2-1-3-5-12/h1-11H,(H,30,31)/b16-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of recombinant human Ero1Lalpha C104A/C131A/C166A triple mutant (22 to 468 residues) expressed in Escherichia coli BL21(DE3)-RIL measured ...				Bioorg Med Chem 27: 1479-1488 (2019) Article DOI: 10.1016/j.bmc.2019.02.016 BindingDB Entry DOI: 10.7270/Q2571G9S
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336431 (5-(3-ethoxy-4-(2-(naphthalen-1-yloxy)ethoxy)benzyl...) Show SMILES CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(C)cc2)ccc1OCCOc1cccc2ccccc12 |w:6.5| Show InChI InChI=1S/C32H28N2O6/c1-3-38-29-20-22(19-26-30(35)33-32(37)34(31(26)36)24-14-11-21(2)12-15-24)13-16-28(29)40-18-17-39-27-10-6-8-23-7-4-5-9-25(23)27/h4-16,19-20H,3,17-18H2,1-2H3,(H,33,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50505175 (CHEMBL4303182) Show SMILES OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)C(F)(F)F |c:12| Show InChI InChI=1S/C22H12ClF3N2O4/c23-17-8-6-13(10-15(17)21(30)31)28-20(29)16(19(27-28)22(24,25)26)11-14-7-9-18(32-14)12-4-2-1-3-5-12/h1-11H,(H,30,31)/b16-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Inhibition of recombinant human Ero1Lalpha C104A/C131A/C166A triple mutant (22 to 468 residues) expressed in Escherichia coli BL21(DE3)-RIL using hum...				Bioorg Med Chem 27: 1479-1488 (2019) Article DOI: 10.1016/j.bmc.2019.02.016 BindingDB Entry DOI: 10.7270/Q2571G9S
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336432 (5-(3-methoxy-4-(2-(3-methoxyphenoxy)ethoxy)benzyli...) Show SMILES COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(OCCOc3cccc(OC)c3)c(OC)c2)C1=O |w:15.16| Show InChI InChI=1S/C28H26N2O8/c1-34-20-10-8-19(9-11-20)30-27(32)23(26(31)29-28(30)33)15-18-7-12-24(25(16-18)36-3)38-14-13-37-22-6-4-5-21(17-22)35-2/h4-12,15-17H,13-14H2,1-3H3,(H,29,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336429 (3-(4-nitrobenzamido)-9,10-dioxo-9,10-dihydroanthra...) Show SMILES OC(=O)c1cc2C(=O)c3ccccc3C(=O)c2cc1NC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H12N2O7/c25-19-13-3-1-2-4-14(13)20(26)16-10-18(17(22(28)29)9-15(16)19)23-21(27)11-5-7-12(8-6-11)24(30)31/h1-10H,(H,23,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336423 (4-(5-chloro-2-hydroxy-3-methoxybenzylidene)-1-(3-c...) Show SMILES COc1cc(Cl)cc(C=C2C(=O)NN(C2=O)c2ccc(F)c(Cl)c2)c1O |w:8.7| Show InChI InChI=1S/C17H11Cl2FN2O4/c1-26-14-6-9(18)4-8(15(14)23)5-11-16(24)21-22(17(11)25)10-2-3-13(20)12(19)7-10/h2-7,23H,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336425 (2-methoxy-4-((2-(naphthalen-2-yl)-5-oxooxazol-4(5H...) Show SMILES COc1cc(\C=C2\N=C(OC2=O)c2ccc3ccccc3c2)ccc1OC(C)=O |c:7| Show InChI InChI=1S/C23H17NO5/c1-14(25)28-20-10-7-15(12-21(20)27-2)11-19-23(26)29-22(24-19)18-9-8-16-5-3-4-6-17(16)13-18/h3-13H,1-2H3/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336426 (2-(4-bromobenzamido)-5-phenylthiophene-3-carboxyli...) Show SMILES OC(=O)c1cc(sc1NC(=O)c1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C18H12BrNO3S/c19-13-8-6-12(7-9-13)16(21)20-17-14(18(22)23)10-15(24-17)11-4-2-1-3-5-11/h1-10H,(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336433 (1-(4-chlorophenyl)-5-((3-hydroxyphenylamino)methyl...) Show SMILES Oc1cccc(c1)N=Cc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O |w:7.7| Show InChI InChI=1S/C17H12ClN3O4/c18-10-4-6-12(7-5-10)21-16(24)14(15(23)20-17(21)25)9-19-11-2-1-3-13(22)8-11/h1-9,22,24H,(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair
ERO1-like protein alpha (Homo sapiens (Human))	BDBM50336427 (3-hydroxy-N'-(1-(3-nitrobenzyl)-2-oxoindolin-3-yli...) Show SMILES Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2cccc(c2)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C26H18N4O5/c31-23-14-18-8-2-1-7-17(18)13-21(23)25(32)28-27-24-20-10-3-4-11-22(20)29(26(24)33)15-16-6-5-9-19(12-16)30(34)35/h1-14,31H,15H2,(H,28,32)/b27-24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human Ero1-Lalpha				Bioorg Med Chem Lett 21: 1118-21 (2011) Article DOI: 10.1016/j.bmcl.2010.12.129 BindingDB Entry DOI: 10.7270/Q2CC10ZR
					More data for this Ligand-Target Pair