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Compile Data Set for Download or QSAR

Found 334 hits Enz. Inhib. hit(s) with Target = 'cysteine protease ATG4B isoform a' AND taxid = 9606   
Target
(Institution)
LigandTarget
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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80880
PNG
(7-Ethyl-5-(4-nitro-phenyl)-2-phenyl-3H-benzo[e][1,...)
Show SMILES CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c1-2-15-8-13-20-19(14-15)21(16-9-11-18(12-10-16)26(27)28)24-25-22(23-20)17-6-4-3-5-7-17/h3-14,24H,2H2,1H3
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n/an/a 399n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80913
PNG
(2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(m-tolyl)qui...)
Show SMILES COc1ccc(cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1)C(C)=O
Show InChI InChI=1S/C25H22N2O3S/c1-16-7-6-8-20(13-16)27-24(29)21-9-4-5-10-22(21)26-25(27)31-15-19-14-18(17(2)28)11-12-23(19)30-3/h4-14H,15H2,1-3H3
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n/an/a 502n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80856
PNG
(4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-...)
Show SMILES Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C26H18Cl2F5N3O2/c1-12-25(13(2)36(35-12)10-17-20(29)22(31)24(33)23(32)21(17)30)34-26(37)15-5-3-14(4-6-15)11-38-19-9-16(27)7-8-18(19)28/h3-9H,10-11H2,1-2H3,(H,34,37)
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n/an/a 532n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM43224
PNG
(1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5...)
Show SMILES CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
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n/an/a 653n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80868
PNG
(MLS000582413 | N-(3-chloranyl-2-pyrrolidin-1-yl-ph...)
Show SMILES Clc1cccc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)c1N1CCCC1
Show InChI InChI=1S/C26H21ClN2O3/c27-21-10-6-11-22(24(21)29-13-3-4-14-29)28-25(30)19-9-5-8-17(15-19)20-16-18-7-1-2-12-23(18)32-26(20)31/h1-2,5-12,15-16H,3-4,13-14H2,(H,28,30)
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n/an/a 870n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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n/an/a 1.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM43254
PNG
((1Z)-1-[(benzylamino)methylene]-3-nitro-6,7,8,9-te...)
Show SMILES [O-][N+](=O)c1cc2oc3CCCCc3c2[c-](\C=[NH+]\Cc2ccccc2)c1=O
Show InChI InChI=1S/C20H17N2O4/c23-20-15(12-21-11-13-6-2-1-3-7-13)19-14-8-4-5-9-17(14)26-18(19)10-16(20)22(24)25/h1-3,6-7,10,12H,4-5,8-9,11H2/q-1/p+1/b21-12+
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n/an/a 1.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 1.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80901
PNG
(2-[(1-ketoisochroman-3-carbonyl)amino]-4,5,6,7-tet...)
Show SMILES COC(=O)c1c(NC(=O)C2Cc3ccccc3C(=O)O2)sc2CCCCc12
Show InChI InChI=1S/C20H19NO5S/c1-25-20(24)16-13-8-4-5-9-15(13)27-18(16)21-17(22)14-10-11-6-2-3-7-12(11)19(23)26-14/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,21,22)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM32061
PNG
(1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...)
Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80987
PNG
(2-chloranyl-3-(4-methylpiperazin-1-yl)naphthalene-...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H15ClN2O2/c1-17-6-8-18(9-7-17)13-12(16)14(19)10-4-2-3-5-11(10)15(13)20/h2-5H,6-9H2,1H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM52539
PNG
(3-[5-({2,4-dioxo-3-[2-oxo-2-(2-toluidino)ethyl]-1,...)
Show SMILES Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2C)C(O)=O)C1=O
Show InChI InChI=1S/C25H20N2O6S/c1-14-7-8-16(24(30)31)11-18(14)20-10-9-17(33-20)12-21-23(29)27(25(32)34-21)13-22(28)26-19-6-4-3-5-15(19)2/h3-12H,13H2,1-2H3,(H,26,28)(H,30,31)/b21-12-
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n/an/a 2.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM51771
PNG
(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
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n/an/a 2.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80946
PNG
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)
Show SMILES Fc1ccccc1C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
Show InChI InChI=1S/C22H17ClFN3O3S/c23-15-7-9-16(10-8-15)30-13-21-25-26-22(27(21)12-17-4-3-11-29-17)31-14-20(28)18-5-1-2-6-19(18)24/h1-11H,12-14H2
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n/an/a 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80846
PNG
(2-[[3-(cyclohexylmethyl)-4-keto-quinazolin-2-yl]th...)
Show SMILES CCOC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC1CCCCC1
Show InChI InChI=1S/C20H26N2O3S/c1-3-25-19(24)14(2)26-20-21-17-12-8-7-11-16(17)18(23)22(20)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3
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n/an/a 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM68008
PNG
(3-[(4-bromobenzoyl)oxy]-2-(3,5-dimethoxyphenyl)qui...)
Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H17BrN2O5/c1-29-17-11-15(12-18(13-17)30-2)21-25-20-6-4-3-5-19(20)22(27)26(21)31-23(28)14-7-9-16(24)10-8-14/h3-13H,1-2H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM47570
PNG
((1Z)-1-[[2-[4-(1H-imidazol-2-yl)phthalazin-1-yl]hy...)
Show SMILES Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12
Show InChI InChI=1S/C22H16N6O/c29-19-10-9-14-5-1-2-6-15(14)18(19)13-25-27-21-17-8-4-3-7-16(17)20(26-28-21)22-23-11-12-24-22/h1-12,29H,13H2,(H,23,24)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM31728
PNG
(6,8-bis(chloranyl)-3a,4,5,9b-tetrahydro-3H-cyclope...)
Show SMILES OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12
Show InChI InChI=1S/C13H11Cl2NO2/c14-6-4-9-7-2-1-3-8(7)12(13(17)18)16-11(9)10(15)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)
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n/an/a 2.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM50296454
PNG
(5-((1H-indol-3-yl)methylene)-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C18H11Cl2N3OS/c19-11-5-6-15(13(20)8-11)22-18-23-17(24)16(25-18)7-10-9-21-14-4-2-1-3-12(10)14/h1-9,21H,(H,22,23,24)
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n/an/a 2.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM48853
PNG
((6E)-2-(2-furanyl)-5-imino-6-[[1-(4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1
Show InChI InChI=1S/C21H15N5O3S/c1-28-15-8-6-13(7-9-15)25-10-2-4-14(25)12-16-18(22)26-21(23-19(16)27)30-20(24-26)17-5-3-11-29-17/h2-12,22H,1H3/b16-12+,22-18?
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n/an/a 2.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/a 2.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM53155
PNG
(5-(4-bromophenyl)-2,8-dimercapto-5H-pyrimido[5'...)
Show SMILES Brc1ccc(cc1)C1c2c(Oc3[nH]c(=S)[nH]c(=O)c13)[nH]c(=S)[nH]c2=O
Show InChI InChI=1S/C15H9BrN4O3S2/c16-6-3-1-5(2-4-6)7-8-10(21)17-14(24)19-12(8)23-13-9(7)11(22)18-15(25)20-13/h1-4,7H,(H2,17,19,21,24)(H2,18,20,22,25)
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n/an/a 2.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM33131
PNG
(MLS000336087 | N-[(2-bromophenyl)methylideneamino]...)
Show SMILES Clc1ccc2c(ccnc2c1)N=NCc1ccccc1Br
Show InChI InChI=1S/C16H11BrClN3/c17-14-4-2-1-3-11(14)10-20-21-15-7-8-19-16-9-12(18)5-6-13(15)16/h1-9H,10H2
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n/an/a 3.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM77907
PNG
(MLS001224379 | N-[(6-chloranyl-4-oxidanylidene-chr...)
Show SMILES COc1cc(ccc1O)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C18H13ClN2O5/c1-25-16-6-10(2-4-14(16)22)18(24)21-20-8-11-9-26-15-5-3-12(19)7-13(15)17(11)23/h2-9,22H,1H3,(H,21,24)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM53026
PNG
(3,3'-[(5-chloro-2-hydroxy-3-nitrophenyl)methyl...)
Show SMILES OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C25H16ClN3O7/c26-11-9-14(23(30)17(10-11)29(35)36)18(19-12-5-1-3-7-15(12)27-21(19)24(31)32)20-13-6-2-4-8-16(13)28-22(20)25(33)34/h1-10,18,27-28,30H,(H,31,32)(H,33,34)
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n/an/a 3.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80988
PNG
((5Z)-5-(3,5-dichloro-2-hydroxy-benzylidene)-2-thio...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H5Cl2NO2S2/c11-5-1-4(8(14)6(12)3-5)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
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n/an/a 3.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80075
PNG
(7-bromanyl-6-methoxy-quinoline-5,8-dione | 7-bromo...)
Show SMILES COC1=C(Br)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C10H6BrNO3/c1-15-10-6(11)9(14)7-5(8(10)13)3-2-4-12-7/h2-4H,1H3
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n/an/a 3.53E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM57514
PNG
((6E)-5-azanylidene-6-[[1-(3,5-dimethylphenyl)-2,5-...)
Show SMILES CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N
Show InChI InChI=1S/C24H27N5OS/c1-13(2)7-21-27-29-22(25)20(23(30)26-24(29)31-21)12-18-11-16(5)28(17(18)6)19-9-14(3)8-15(4)10-19/h8-13,25H,7H2,1-6H3/b20-12+,25-22?
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n/an/a 3.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/a 3.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM59086
PNG
(1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)amidino]amino]...)
Show SMILES CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC
Show InChI InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36)
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n/an/a 3.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM31729
PNG
(8-bromanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qu...)
Show SMILES OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12
Show InChI InChI=1S/C13H12BrNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)
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n/an/a 3.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM54372
PNG
((5Z)-5-[(6-methoxy-2-piperidin-1-yl-quinolin-3-yl)...)
Show SMILES COc1ccc2nc(N3CCCCC3)c(C=C3SC(S)=NC3=O)cc2c1
Show InChI InChI=1S/C19H19N3O2S2/c1-24-14-5-6-15-12(10-14)9-13(11-16-18(23)21-19(25)26-16)17(20-15)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,21,23,25)
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n/an/a 4.24E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM44073
PNG
((E)-4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilin...)
Show SMILES CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
Show InChI InChI=1S/C25H21N3O4S/c1-27(19-7-3-2-4-8-19)21-13-11-17(16-22(21)28(31)32)15-18(12-14-24(29)30)25-26-20-9-5-6-10-23(20)33-25/h2-11,13,15-16H,12,14H2,1H3,(H,29,30)/b18-15+
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n/an/a 4.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80858
PNG
(3-(2-Chloro-phenyl)-4,5-dihydro-isoxazole-5-carbox...)
Show SMILES Clc1ccccc1C1=NOC(C1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C18H14ClN3O2S/c19-13-6-2-1-4-11(13)14-8-15(24-22-14)17(23)21-18-12(9-20)10-5-3-7-16(10)25-18/h1-2,4,6,15H,3,5,7-8H2,(H,21,23)
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n/an/a 4.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80889
PNG
(2-(3,5-dimethoxyphenyl)-3-[(3,4-dimethylbenzoyl)ox...)
Show SMILES COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C25H22N2O5/c1-15-9-10-17(11-16(15)2)25(29)32-27-23(18-12-19(30-3)14-20(13-18)31-4)26-22-8-6-5-7-21(22)24(27)28/h5-14H,1-4H3
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n/an/a 4.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM58428
PNG
(((5E)-5-{[5-(3-chlorophenyl)-2-furyl]methylene}-4-...)
Show SMILES OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H14ClNO4S2/c23-15-8-4-7-14(11-15)17-10-9-16(28-17)12-18-20(25)24(22(29)30-18)19(21(26)27)13-5-2-1-3-6-13/h1-12,19H,(H,26,27)/b18-12+
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n/an/a 4.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80878
PNG
((6E)-6-[(1,3-benzodioxol-5-ylamino)methylene]-2,4-...)
Show SMILES Oc1c(Br)cc(Br)cc1C=Nc1ccc2OCOc2c1
Show InChI InChI=1S/C14H9Br2NO3/c15-9-3-8(14(18)11(16)4-9)6-17-10-1-2-12-13(5-10)20-7-19-12/h1-6,18H,7H2
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n/an/a 4.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM48003
PNG
(2-Methyl-8-morpholin-4-yl-5,6-dioxo-5,6-dihydro-qu...)
Show SMILES COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1
Show InChI InChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
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n/an/a 4.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM48845
PNG
(1-cetyl-3-methyl-imidazol-3-ium;bromide | 1-hexade...)
Show SMILES CCCCCCCCCCCCCCCCn1cc[n+](C)c1
Show InChI InChI=1S/C20H39N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22/h18-20H,3-17H2,1-2H3/q+1
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n/an/a 4.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM40675
PNG
(2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-ethoxy...)
Show SMILES CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O
Show InChI InChI=1S/C27H20BrN3O3S/c1-2-34-24-15-17(8-13-23(24)32)14-21-25(19-6-4-3-5-7-19)30-31(26(21)33)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16,30H,2H2,1H3
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n/an/a 5.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80912
PNG
(2-[(5-acetyl-2-ethoxy-benzyl)thio]-3-allyl-quinazo...)
Show SMILES CCOc1ccc(cc1CSc1nc2ccccc2c(=O)n1CC=C)C(C)=O
Show InChI InChI=1S/C22H22N2O3S/c1-4-12-24-21(26)18-8-6-7-9-19(18)23-22(24)28-14-17-13-16(15(3)25)10-11-20(17)27-5-2/h4,6-11,13H,1,5,12,14H2,2-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM50737
PNG
(4-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
Show InChI InChI=1S/C20H15NO3S2/c1-13(11-14-5-3-2-4-6-14)12-17-18(22)21(20(25)26-17)16-9-7-15(8-10-16)19(23)24/h2-12H,1H3,(H,23,24)/b13-11+,17-12-
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n/an/a 5.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM42035
PNG
(4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc3N[C@@H]([C@@H]4CC=C[C@@H]4c3c2)c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H24N2O5S/c1-33-19-11-9-18(10-12-19)28-34(31,32)20-13-14-24-23(15-20)21-3-2-4-22(21)25(27-24)16-5-7-17(8-6-16)26(29)30/h2-3,5-15,21-22,25,27-28H,4H2,1H3,(H,29,30)/t21-,22+,25+/m0/s1
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n/an/a 5.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM47570
PNG
((1Z)-1-[[2-[4-(1H-imidazol-2-yl)phthalazin-1-yl]hy...)
Show SMILES Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12
Show InChI InChI=1S/C22H16N6O/c29-19-10-9-14-5-1-2-6-15(14)18(19)13-25-27-21-17-8-4-3-7-16(17)20(26-28-21)22-23-11-12-24-22/h1-12,29H,13H2,(H,23,24)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


Citation and Details
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM80835
PNG
(2-[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)...)
Show SMILES COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1
Show InChI InChI=1S/C16H17ClN2O3S/c1-22-14(20)9-23-16-18-13-8-10(17)6-7-12(13)15(21)19(16)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
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n/an/a 5.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM49153
PNG
(MLS000530403 | N'-[1-(1,3-dioxo-2,3-dihydro-1H...)
Show SMILES CC(NNC(=O)c1cc2ccccc2cc1O)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H16N2O4/c1-12(19-20(26)15-8-4-5-9-16(15)21(19)27)23-24-22(28)17-10-13-6-2-3-7-14(13)11-18(17)25/h2-11,23,25H,1H3,(H,24,28)
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n/an/a 5.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM55427
PNG
(MLS000556371 | N-(3-Cyano-5,6-dihydro-4H-cyclopent...)
Show SMILES COc1ccc(cc1OC)-c1ccc(C#N)c(SCC(=O)Nc2sc3CCCc3c2C#N)n1
Show InChI InChI=1S/C24H20N4O3S2/c1-30-19-9-7-14(10-20(19)31-2)18-8-6-15(11-25)23(27-18)32-13-22(29)28-24-17(12-26)16-4-3-5-21(16)33-24/h6-10H,3-5,13H2,1-2H3,(H,28,29)
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n/an/a 5.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM39704
PNG
((3-methyl-4-propan-2-yl-phenyl) thiophene-2-carbox...)
Show SMILES CC(C)c1ccc(OC(=O)c2cccs2)cc1C
Show InChI InChI=1S/C15H16O2S/c1-10(2)13-7-6-12(9-11(13)3)17-15(16)14-5-4-8-18-14/h4-10H,1-3H3
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n/an/a 5.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM47026
PNG
((Z)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-...)
Show SMILES CC(CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
Show InChI InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10-/t19?,21-,24+,28-,29-,30+/m1/s1
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n/an/a 5.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
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