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PubChem AID 523

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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
Cathepsin (B and K)


(Homo sapiens)
BDBM32784
PNG
(2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...)
Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2
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n/an/a 657n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM35509
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O5S2/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-24-12/h2-9H,16H2,1H3
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n/an/a 945n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM32783
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-fluorophe...)
Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3O4S2/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)22-14(19)11-2-1-7-23-11/h1-8H,16H2
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n/an/a 1.67E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM32756
PNG
(2-furancarboxylic acid [5-amino-1-(4-fluorophenyl)...)
Show SMILES Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2
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n/an/a 2.77E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37851
PNG
(4-methyl-2-thiophenecarboxylic acid [5-amino-1-(be...)
Show SMILES Cc1csc(c1)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13N3O4S2/c1-10-7-12(23-9-10)15(19)22-14-8-13(16)18(17-14)24(20,21)11-5-3-2-4-6-11/h2-9H,16H2,1H3
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n/an/a 2.82E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM32755
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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n/an/a 2.83E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM32665
PNG
(2-furancarboxylic acid [5-amino-1-(4-methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
Show InChI InChI=1S/C15H13N3O5S/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-22-12/h2-9H,16H2,1H3
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n/an/a 3.04E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37864
PNG
(2-thiophenecarboxylic acid [1-(4-methoxyphenyl)sul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1NC(=O)c1cccs1
Show InChI InChI=1S/C20H15N3O6S3/c1-28-13-6-8-14(9-7-13)32(26,27)23-17(21-19(24)15-4-2-10-30-15)12-18(22-23)29-20(25)16-5-3-11-31-16/h2-12H,1H3,(H,21,24)
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n/an/a 3.23E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM32868
PNG
((5-amino-1-methylsulfonylpyrazol-3-yl) thiophene-2...)
Show SMILES CS(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C9H9N3O4S2/c1-18(14,15)12-7(10)5-8(11-12)16-9(13)6-3-2-4-17-6/h2-5H,10H2,1H3
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n/an/a 2.23E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37861
PNG
(2-thiophenecarboxylic acid [1-(4-methylphenyl)sulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc(OC(=O)c2cccs2)n1
Show InChI InChI=1S/C15H12N2O4S2/c1-11-4-6-12(7-5-11)23(19,20)17-9-8-14(16-17)21-15(18)13-3-2-10-22-13/h2-10H,1H3
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n/an/a 3.31E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37855
PNG
(2-thiophenecarboxylic acid [5-amino-1-[4-(4-methox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C21H17N3O5S2/c1-28-16-8-4-14(5-9-16)15-6-10-17(11-7-15)31(26,27)24-19(22)13-20(23-24)29-21(25)18-3-2-12-30-18/h2-13H,22H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37852
PNG
(1-benzothiophene-2-carboxylic acid [5-amino-1-(ben...)
Show SMILES Nc1cc(OC(=O)c2cc3ccccc3s2)nn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H13N3O4S2/c19-16-11-17(20-21(16)27(23,24)13-7-2-1-3-8-13)25-18(22)15-10-12-6-4-5-9-14(12)26-15/h1-11H,19H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37859
PNG
(2-(4-methoxyphenyl)sulfonyl-5-(thiophen-2-ylmethox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OCc2cccs2)cc1N
Show InChI InChI=1S/C15H15N3O4S2/c1-21-11-4-6-13(7-5-11)24(19,20)18-14(16)9-15(17-18)22-10-12-3-2-8-23-12/h2-9H,10,16H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37865
PNG
(2-thiophenesulfonic acid [5-amino-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OS(=O)(=O)c2cccs2)cc1N
Show InChI InChI=1S/C14H13N3O6S3/c1-22-10-4-6-11(7-5-10)25(18,19)17-12(15)9-13(16-17)23-26(20,21)14-3-2-8-24-14/h2-9H,15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37853
PNG
(PC-0094931 | PCMD-CC-MCM-15 | [5-amino-1-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(C)=O)cc1N
Show InChI InChI=1S/C12H13N3O5S/c1-8(16)20-12-7-11(13)15(14-12)21(17,18)10-5-3-9(19-2)4-6-10/h3-7H,13H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37854
PNG
(PC-0094932 | PCMD-CC-MCM-16 | [5-(diacetylamino)-1...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(C)=O)cc1N(C(C)=O)C(C)=O
Show InChI InChI=1S/C16H17N3O7S/c1-10(20)18(11(2)21)16-9-15(26-12(3)22)17-19(16)27(23,24)14-7-5-13(25-4)6-8-14/h5-9H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37857
PNG
(4-pyridinecarboxylic acid [5-amino-1-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccncc2)cc1N
Show InChI InChI=1S/C16H14N4O5S/c1-24-12-2-4-13(5-3-12)26(22,23)20-14(17)10-15(19-20)25-16(21)11-6-8-18-9-7-11/h2-10H,17H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37850
PNG
((5-methoxy-2-tosyl-pyrazol-3-yl)amine | 5-methoxy-...)
Show SMILES COc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C11H13N3O3S/c1-8-3-5-9(6-4-8)18(15,16)14-10(12)7-11(13-14)17-2/h3-7H,12H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37863
PNG
(N-(5-keto-2-tosyl-3-pyrazolin-3-yl)thiophene-2-car...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)c1cccs1
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(21,22)18-13(9-14(19)17-18)16-15(20)12-3-2-8-23-12/h2-9H,1H3,(H,16,20)(H,17,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37862
PNG
(1-[2-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-1H-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)Nc1cccs1
Show InChI InChI=1S/C15H14N4O5S2/c1-24-10-4-6-11(7-5-10)26(22,23)19-12(9-13(20)18-19)16-15(21)17-14-3-2-8-25-14/h2-9H,1H3,(H,18,20)(H2,16,17,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37866
PNG
(PC-0095744 | PCMD-CC-MCM-29 | [5-amino-1-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OS(=O)(=O)C(F)(F)F)cc1N
Show InChI InChI=1S/C11H10F3N3O6S2/c1-22-7-2-4-8(5-3-7)24(18,19)17-9(15)6-10(16-17)23-25(20,21)11(12,13)14/h2-6H,15H2,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37867
PNG
(2-thiophenecarbothioic acid S-(2,3-dihydroxy-4-mer...)
Show SMILES OC(CS)C(O)CSC(=O)c1cccs1
Show InChI InChI=1S/C9H12O3S3/c10-6(4-13)7(11)5-15-9(12)8-2-1-3-14-8/h1-3,6-7,10-11,13H,4-5H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37856
PNG
(2-thiophenecarboxylic acid phenyl ester | PC-00949...)
Show SMILES O=C(Oc1ccccc1)c1cccs1
Show InChI InChI=1S/C11H8O2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37849
PNG
(3-amino-2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-on...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1N
Show InChI InChI=1S/C10H11N3O3S/c1-7-2-4-8(5-3-7)17(15,16)13-9(11)6-10(14)12-13/h2-6H,11H2,1H3,(H,12,14)
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PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM33782
PNG
(2-thiophenecarboxylic acid [5-amino-1-[(4-methoxya...)
Show SMILES COc1ccc(NC(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-23-11-6-4-10(5-7-11)18-16(22)20-13(17)9-14(19-20)24-15(21)12-3-2-8-25-12/h2-9H,17H2,1H3,(H,18,22)
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PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37858
PNG
(2-cyano-N'-(4-methylphenyl)sulfonyl-ethanehydrazid...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)CC#N
Show InChI InChI=1S/C10H11N3O3S/c1-8-2-4-9(5-3-8)17(15,16)13-12-10(14)6-7-11/h2-5,13H,6H2,1H3,(H,12,14)
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PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM37860
PNG
(1-tosyl-3-pyrazolin-3-one | 2-(4-methylphenyl)sulf...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc(=O)[nH]1
Show InChI InChI=1S/C10H10N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-7H,1H3,(H,11,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q28P5XWQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%