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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'adriaenssens' and Initial = 'y'   
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
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80861
PNG
(4-[2-(2-Cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrim...)
Show SMILES Cc1sc2nc(nc(SCC(=O)N3CC(=O)Nc4ccccc34)c2c1C)C1CCCCC1
Show InChI InChI=1S/C24H26N4O2S2/c1-14-15(2)32-24-21(14)23(26-22(27-24)16-8-4-3-5-9-16)31-13-20(30)28-12-19(29)25-17-10-6-7-11-18(17)28/h6-7,10-11,16H,3-5,8-9,12-13H2,1-2H3,(H,25,29)
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n/an/a 316n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escherichia coli BL21 DE3 using N-terminal His6-tagged LC3B-PLA2 as substrate...


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM50085339
PNG
(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assay


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assay


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM33413
PNG
(benzo[7]annulene-8-carboxylic acid, 5)
Show SMILES OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
Show InChI InChI=1S/C12H8O6/c13-7-2-1-5-3-6(12(17)18)4-8(14)11(16)9(5)10(7)15/h1-4,13,15H,(H,14,16)(H,17,18)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escherichia coli BL21 DE3 using N-terminal His6-tagged LC3B-PLA2 as substrate...


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escherichia coli BL21 DE3 using N-terminal His6-tagged LC3B-PLA2 as substrate...


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged Atg4B expressed in Escherichia coli using LC3B-GST as substrate after 6 mins by SDS-PAGE assay


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM34545
PNG
(MLS000104342 | N-(2-pyridinyl)-2-pyridinecarbothio...)
Show SMILES S=C(Nc1ccccn1)c1ccccn1
Show InChI InChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Atg4B (unknown origin) using LC3B-GST as substrate preincubated for 24 hrs followed by substrate addition measured for 3 mins by SDS-PA...


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM50060874
PNG
(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Show SMILES Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O
Show InChI InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assay


Eur J Med Chem 123: 631-638 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.073
BindingDB Entry DOI: 10.7270/Q2FT8P1P
More data for this
Ligand-Target Pair