Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50043948 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 |
|---|
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448811
(CHEMBL3128229)Show SMILES Brc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C27H23BrN6O/c28-22-11-9-21(10-12-22)27(35)33-23-8-4-7-20(15-23)16-29-25-24-17-32-34(26(24)31-18-30-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18H,13-14,16H2,(H,33,35)(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448821
(CHEMBL3128237)Show SMILES Fc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1 Show InChI InChI=1S/C27H24FN7O/c28-21-9-11-22(12-10-21)33-27(36)34-23-8-4-7-20(15-23)16-29-25-24-17-32-35(26(24)31-18-30-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18H,13-14,16H2,(H,29,30,31)(H2,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448815
(CHEMBL3128222)Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C26H23FN6O2S/c27-21-9-11-23(12-10-21)36(34,35)32-22-8-4-7-20(15-22)16-28-25-24-17-31-33(26(24)30-18-29-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18,32H,13-14,16H2,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448823
(CHEMBL3128235)Show SMILES O=C(Nc1ccccc1)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C27H25N7O/c35-27(32-22-11-5-2-6-12-22)33-23-13-7-10-21(16-23)17-28-25-24-18-31-34(26(24)30-19-29-25)15-14-20-8-3-1-4-9-20/h1-13,16,18-19H,14-15,17H2,(H,28,29,30)(H2,32,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448817
(CHEMBL3128220)Show SMILES O=S(=O)(Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1)c1ccccc1 Show InChI InChI=1S/C26H24N6O2S/c33-35(34,23-12-5-2-6-13-23)31-22-11-7-10-21(16-22)17-27-25-24-18-30-32(26(24)29-19-28-25)15-14-20-8-3-1-4-9-20/h1-13,16,18-19,31H,14-15,17H2,(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448822
(CHEMBL3128236)Show SMILES Brc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1 Show InChI InChI=1S/C27H24BrN7O/c28-21-9-11-22(12-10-21)33-27(36)34-23-8-4-7-20(15-23)16-29-25-24-17-32-35(26(24)31-18-30-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18H,13-14,16H2,(H,29,30,31)(H2,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448820
(CHEMBL3128239)Show SMILES COc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-37-24-12-10-22(11-13-24)33-28(36)34-23-9-5-8-21(16-23)17-29-26-25-18-32-35(27(25)31-19-30-26)15-14-20-6-3-2-4-7-20/h2-13,16,18-19H,14-15,17H2,1H3,(H,29,30,31)(H2,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448810
(CHEMBL3128230)Show SMILES Fc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C27H23FN6O/c28-22-11-9-21(10-12-22)27(35)33-23-8-4-7-20(15-23)16-29-25-24-17-32-34(26(24)31-18-30-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18H,13-14,16H2,(H,33,35)(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448818
(CHEMBL3128219)Show SMILES O=C(NCc1ccccc1)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C28H27N7O/c36-28(30-17-22-10-5-2-6-11-22)34-24-13-7-12-23(16-24)18-29-26-25-19-33-35(27(25)32-20-31-26)15-14-21-8-3-1-4-9-21/h1-13,16,19-20H,14-15,17-18H2,(H,29,31,32)(H2,30,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448816
(CHEMBL3128221)Show SMILES Brc1ccc(cc1)S(=O)(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C26H23BrN6O2S/c27-21-9-11-23(12-10-21)36(34,35)32-22-8-4-7-20(15-22)16-28-25-24-17-31-33(26(24)30-18-29-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18,32H,13-14,16H2,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448819
(CHEMBL3128218)Show SMILES COc1ccc(NC(=O)Nc2cccc(CNc3ncnc4n(CCc5ccccc5)ncc34)c2)cc1OC Show InChI InChI=1S/C29H29N7O3/c1-38-25-12-11-23(16-26(25)39-2)35-29(37)34-22-10-6-9-21(15-22)17-30-27-24-18-33-36(28(24)32-19-31-27)14-13-20-7-4-3-5-8-20/h3-12,15-16,18-19H,13-14,17H2,1-2H3,(H,30,31,32)(H2,34,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448809
(CHEMBL3128231)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C27H23N7O3/c35-27(21-9-11-23(12-10-21)34(36)37)32-22-8-4-7-20(15-22)16-28-25-24-17-31-33(26(24)30-18-29-25)14-13-19-5-2-1-3-6-19/h1-12,15,17-18H,13-14,16H2,(H,32,35)(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448812
(CHEMBL3128228)Show SMILES O=C(Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1)c1ccccc1 Show InChI InChI=1S/C27H24N6O/c34-27(22-11-5-2-6-12-22)32-23-13-7-10-21(16-23)17-28-25-24-18-31-33(26(24)30-19-29-25)15-14-20-8-3-1-4-9-20/h1-13,16,18-19H,14-15,17H2,(H,32,34)(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448824
(CHEMBL3128234)Show SMILES O=C(Cc1ccccc1)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C28H26N6O/c35-26(17-22-10-5-2-6-11-22)33-24-13-7-12-23(16-24)18-29-27-25-19-32-34(28(25)31-20-30-27)15-14-21-8-3-1-4-9-21/h1-13,16,19-20H,14-15,17-18H2,(H,33,35)(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448808
(CHEMBL3128232)Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C28H26N6O2/c1-36-24-12-10-22(11-13-24)28(35)33-23-9-5-8-21(16-23)17-29-26-25-18-32-34(27(25)31-19-30-26)15-14-20-6-3-2-4-7-20/h2-13,16,18-19H,14-15,17H2,1H3,(H,33,35)(H,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448807
(CHEMBL3128233)Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C29H28N6O3/c1-37-25-12-11-22(16-26(25)38-2)29(36)34-23-10-6-9-21(15-23)17-30-27-24-18-33-35(28(24)32-19-31-27)14-13-20-7-4-3-5-8-20/h3-12,15-16,18-19H,13-14,17H2,1-2H3,(H,34,36)(H,30,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448814
(CHEMBL3128224)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C27H26N6O3S/c1-36-23-10-12-24(13-11-23)37(34,35)32-22-9-5-8-21(16-22)17-28-26-25-18-31-33(27(25)30-19-29-26)15-14-20-6-3-2-4-7-20/h2-13,16,18-19,32H,14-15,17H2,1H3,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50448813
(CHEMBL3128226)Show SMILES O=S(=O)(Cc1ccccc1)Nc1cccc(CNc2ncnc3n(CCc4ccccc4)ncc23)c1 Show InChI InChI=1S/C27H26N6O2S/c34-36(35,19-22-10-5-2-6-11-22)32-24-13-7-12-23(16-24)17-28-26-25-18-31-33(27(25)30-20-29-26)15-14-21-8-3-1-4-9-21/h1-13,16,18,20,32H,14-15,17,19H2,(H,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay |
J Med Chem 57: 1225-35 (2014)
Article DOI: 10.1021/jm401358b
BindingDB Entry DOI: 10.7270/Q2X34ZZP |
More data for this
Ligand-Target Pair | |
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