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PubChem AID 2214

Compile data set for download or QSAR
Found 117 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 L1


(Homo sapiens (human))
BDBM53779
PNG
(2-[(5Z)-4-keto-5-(1-naphthylmethylene)-2-thioxo-th...)
Show SMILES OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C23H17NO3S2/c25-21-20(14-17-11-6-10-16-9-4-5-12-18(16)17)29-23(28)24(21)19(22(26)27)13-15-7-2-1-3-8-15/h1-12,14,19H,13H2,(H,26,27)/b20-14-
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n/an/a 2.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM47291
PNG
(3-hydroxy-N-[(5Z)-4-keto-5-(2-ketoindolin-3-yliden...)
Show SMILES Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H11N3O4S2/c22-10-5-3-4-9(8-10)15(23)20-21-17(25)14(27-18(21)26)13-11-6-1-2-7-12(11)19-16(13)24/h1-8,22H,(H,19,24)(H,20,23)/b14-13-
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n/an/a 3.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM54140
PNG
(MLS001043248 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9H,(H,19,23)(H,20,22)/b14-13-
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n/an/a 3.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53985
PNG
(MLS000687796 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
Show InChI InChI=1S/C17H10N4O3S2/c22-14(9-4-3-7-18-8-9)20-21-16(24)13(26-17(21)25)12-10-5-1-2-6-11(10)19-15(12)23/h1-8H,(H,19,23)(H,20,22)/b13-12-
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n/an/a 4.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59951
PNG
(4,5-Dimethoxy-2-[2-(3,5,8-trimethyl-quinolin-2-yls...)
Show SMILES COc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)c(cc1OC)C(O)=O
Show InChI InChI=1S/C23H24N2O5S/c1-12-6-7-13(2)21-15(12)8-14(3)22(25-21)31-11-20(26)24-17-10-19(30-5)18(29-4)9-16(17)23(27)28/h6-10H,11H2,1-5H3,(H,24,26)(H,27,28)
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n/an/a 5.93E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53664
PNG
(MLS000074723 | N-[4-keto-2-(2-thenyl)quinazolin-3-...)
Show SMILES O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1
Show InChI InChI=1S/C18H13N3O2S2/c22-17(15-8-4-10-25-15)20-21-16(11-12-5-3-9-24-12)19-14-7-2-1-6-13(14)18(21)23/h1-10H,11H2,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59703
PNG
(MLS000052726 | N-(4-bromanyl-3-chloranyl-phenyl)-2...)
Show SMILES Clc1cc(NC(=O)CSc2nccc(=O)[nH]2)ccc1Br
Show InChI InChI=1S/C12H9BrClN3O2S/c13-8-2-1-7(5-9(8)14)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM40645
PNG
(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1
Show InChI InChI=1S/C15H15N3O4S/c1-9-6-12(19)18-15(16-9)23-8-13(20)17-11-5-3-4-10(7-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,16,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59732
PNG
(MLS000049749 | N-(3-chloranyl-4-fluoranyl-phenyl)-...)
Show SMILES Fc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1Cl
Show InChI InChI=1S/C12H9ClFN3O2S/c13-8-5-7(1-2-9(8)14)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59734
PNG
(3-(3-ethoxyphenyl)-1H-pyrazol-5-ol | 5-(3-ethoxyph...)
Show SMILES CCOc1cccc(c1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C11H12N2O2/c1-2-15-9-5-3-4-8(6-9)10-7-11(14)13-12-10/h3-7H,2H2,1H3,(H2,12,13,14)
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59744
PNG
(2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(...)
Show SMILES CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C
Show InChI InChI=1S/C15H21N5OS2/c1-4-20(5-2)12-7-6-11(8-10(12)3)17-13(21)9-22-15-19-18-14(16)23-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM46660
PNG
(5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...)
Show SMILES Brc1cccc(c1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59758
PNG
(2-(p-cumenylcarbamoyl)cyclohexanecarboxylic acid |...)
Show SMILES CC(C)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
Show InChI InChI=1S/C17H23NO3/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17(20)21/h7-11,14-15H,3-6H2,1-2H3,(H,18,19)(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59829
PNG
(6-({[3-(methoxycarbonyl)-4,5-dimethyl-2-thienyl]am...)
Show SMILES COC(=O)c1c(C)c(C)sc1NC(=O)C1CC=CCC1C(O)=O
Show InChI InChI=1S/C16H19NO5S/c1-8-9(2)23-14(12(8)16(21)22-3)17-13(18)10-6-4-5-7-11(10)15(19)20/h4-5,10-11H,6-7H2,1-3H3,(H,17,18)(H,19,20)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59881
PNG
(6-({[3-(ethoxycarbonyl)-4-(3-methylphenyl)-2-thien...)
Show SMILES CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cccc(C)c1
Show InChI InChI=1S/C22H23NO5S/c1-3-28-22(27)18-17(14-8-6-7-13(2)11-14)12-29-20(18)23-19(24)15-9-4-5-10-16(15)21(25)26/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,23,24)(H,25,26)
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PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59949
PNG
(3-(3-nitrophenyl)-1H-pyrazol-5-ol | 5-(3-nitrophen...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H7N3O3/c13-9-5-8(10-11-9)6-2-1-3-7(4-6)12(14)15/h1-5H,(H2,10,11,13)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60045
PNG
(3-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]...)
Show SMILES Cc1ccc(Nc2nnc(SC3CCOC3=O)s2)c(C)c1
Show InChI InChI=1S/C14H15N3O2S2/c1-8-3-4-10(9(2)7-8)15-13-16-17-14(21-13)20-11-5-6-19-12(11)18/h3-4,7,11H,5-6H2,1-2H3,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60075
PNG
(3,4-dimethyl-6-[(3-nitroanilino)-oxomethyl]-1-cycl...)
Show SMILES CC1=C(C)CC(C(C1)C(O)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N2O5/c1-9-6-13(14(16(20)21)7-10(9)2)15(19)17-11-4-3-5-12(8-11)18(22)23/h3-5,8,13-14H,6-7H2,1-2H3,(H,17,19)(H,20,21)
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60087
PNG
(2-[4-[(3-chlorophenyl)carbamoylamino]phenyl]acetic...)
Show SMILES OC(=O)Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H13ClN2O3/c16-11-2-1-3-13(9-11)18-15(21)17-12-6-4-10(5-7-12)8-14(19)20/h1-7,9H,8H2,(H,19,20)(H2,17,18,21)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60105
PNG
(6-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-...)
Show SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cc(C)ccc1C
Show InChI InChI=1S/C22H23NO5S/c1-12-8-9-13(2)16(10-12)17-11-29-20(18(17)22(27)28-3)23-19(24)14-6-4-5-7-15(14)21(25)26/h4-5,8-11,14-15H,6-7H2,1-3H3,(H,23,24)(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60118
PNG
(4-chloranyl-6-[(3-cyano-5,6,7,8-tetrahydro-4H-cycl...)
Show SMILES OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C18H19ClN2O3S/c19-10-6-7-12(18(23)24)13(8-10)16(22)21-17-14(9-20)11-4-2-1-3-5-15(11)25-17/h6,12-13H,1-5,7-8H2,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60125
PNG
(1,2,3,4,7,7-hexachloro-6-(p-phenetylcarbamoyl)bicy...)
Show SMILES CCOc1ccc(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1
Show InChI InChI=1S/C17H13Cl6NO4/c1-2-28-8-5-3-7(4-6-8)24-13(25)9-10(14(26)27)16(21)12(19)11(18)15(9,20)17(16,22)23/h3-6,9-10H,2H2,1H3,(H,24,25)(H,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59589
PNG
(2-(5-Butyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2...)
Show SMILES CCCCc1c(O)nc(SCC(=O)Nc2ccc3CCCc3c2)[nH]c1=O
Show InChI InChI=1S/C19H23N3O3S/c1-2-3-7-15-17(24)21-19(22-18(15)25)26-11-16(23)20-14-9-8-12-5-4-6-13(12)10-14/h8-10H,2-7,11H2,1H3,(H,20,23)(H2,21,22,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59644
PNG
(7-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]...)
Show SMILES Cc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c(C)c1
Show InChI InChI=1S/C17H15N5OS3/c1-10-3-4-13(11(2)7-10)19-15-20-21-17(26-15)25-9-12-8-14(23)22-5-6-24-16(22)18-12/h3-8H,9H2,1-2H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59701
PNG
(3-(3,4-dichlorophenyl)-1H-pyrazol-5-ol | 5-(3,4-di...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H6Cl2N2O/c10-6-2-1-5(3-7(6)11)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM46605
PNG
(5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...)
Show SMILES Brc1ccccc1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6BrN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53796
PNG
(MLS000590933 | N-[2-(2-methoxyphenyl)-4-oxidanylid...)
Show SMILES COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
Show InChI InChI=1S/C20H15N3O3S/c1-26-16-10-5-3-8-14(16)18-21-15-9-4-2-7-13(15)20(25)23(18)22-19(24)17-11-6-12-27-17/h2-12H,1H3,(H,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59950
PNG
(2-[2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-acetylam...)
Show SMILES COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(cc1OC)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-12-5-6-14-8-13(2)21(24-16(14)7-12)30-11-20(25)23-17-10-19(29-4)18(28-3)9-15(17)22(26)27/h5-10H,11H2,1-4H3,(H,23,25)(H,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59980
PNG
(2-[[6-(4-fluorobenzyl)-4-keto-1,5,7,8-tetrahydropy...)
Show SMILES Fc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(F)cc4)[nH]c(=O)c3C2)cc1
Show InChI InChI=1S/C22H20F2N4O2S/c23-15-3-1-14(2-4-15)11-28-10-9-19-18(12-28)21(30)27-22(26-19)31-13-20(29)25-17-7-5-16(24)6-8-17/h1-8H,9-13H2,(H,25,29)(H,26,27,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60041
PNG
(2-keto-1H-pyridine-3-carboxylic acid [2-[2,5-dimet...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C21H20N2O4/c1-13-6-8-16(9-7-13)23-14(2)11-18(15(23)3)19(24)12-27-21(26)17-5-4-10-22-20(17)25/h4-11H,12H2,1-3H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60053
PNG
(6-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothio...)
Show SMILES CCC1CCc2c(C1)sc(NC(=O)C1CC=CCC1C(O)=O)c2C#N
Show InChI InChI=1S/C19H22N2O3S/c1-2-11-7-8-12-15(10-20)18(25-16(12)9-11)21-17(22)13-5-3-4-6-14(13)19(23)24/h3-4,11,13-14H,2,5-9H2,1H3,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60073
PNG
(2-[(3-carbethoxy-6-ethyl-4,5,6,7-tetrahydrobenzoth...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CC(CC)CCc12
Show InChI InChI=1S/C22H27NO5S/c1-3-11-5-8-14-15(9-11)29-20(18(14)22(27)28-4-2)23-19(24)16-12-6-7-13(10-12)17(16)21(25)26/h6-7,11-13,16-17H,3-5,8-10H2,1-2H3,(H,23,24)(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60104
PNG
(2-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyc...)
Show SMILES COC(=O)c1c(NC(=O)C2CCCCC2C(O)=O)sc2CCCCCc12
Show InChI InChI=1S/C19H25NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h11-12H,2-10H2,1H3,(H,20,21)(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60127
PNG
(4-chloranyl-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzo...)
Show SMILES OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C17H17ClN2O3S/c18-9-5-6-11(17(22)23)12(7-9)15(21)20-16-13(8-19)10-3-1-2-4-14(10)24-16/h5,11-12H,1-4,6-7H2,(H,20,21)(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53987
PNG
(MLS000682477 | N-(1,3-benzodioxol-5-ylmethyl)-1-(p...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C17H24N2O5S/c1-2-9-25(21,22)19-7-5-14(6-8-19)17(20)18-11-13-3-4-15-16(10-13)24-12-23-15/h3-4,10,14H,2,5-9,11-12H2,1H3,(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60187
PNG
(3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]...)
Show SMILES Cc1cccc(Nc2nnc(SC3CCOC3=O)s2)c1C
Show InChI InChI=1S/C14H15N3O2S2/c1-8-4-3-5-10(9(8)2)15-13-16-17-14(21-13)20-11-6-7-19-12(11)18/h3-5,11H,6-7H2,1-2H3,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM54101
PNG
(2-[(5Z)-4-keto-5-[(E)-2-methyl-3-phenyl-prop-2-eny...)
Show SMILES C\C(\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C21H17NO3S2/c1-14(12-15-8-4-2-5-9-15)13-17-19(23)22(21(26)27-17)18(20(24)25)16-10-6-3-7-11-16/h2-13,18H,1H3,(H,24,25)/b14-12+,17-13-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM54111
PNG
(2-[(5Z)-5-(2,5-dimethoxybenzylidene)-4-keto-2-thio...)
Show SMILES COc1ccc(OC)c(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C20H17NO5S2/c1-25-14-8-9-15(26-2)13(10-14)11-16-18(22)21(20(27)28-16)17(19(23)24)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H,23,24)/b16-11-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM56911
PNG
(2-(1-methyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2...)
Show SMILES Cn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O
Show InChI InChI=1S/C17H15N3O3S/c1-20-16(23)9-14(21)19-17(20)24-10-15(22)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-9,21H,10H2,1H3,(H,18,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53691
PNG
(1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-furanylm...)
Show SMILES O=C(NCc1ccco1)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C17H18N4O5S/c22-17(18-10-13-5-3-9-25-13)12-4-2-8-21(11-12)27(23,24)15-7-1-6-14-16(15)20-26-19-14/h1,3,5-7,9,12H,2,4,8,10-11H2,(H,18,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59662
PNG
(3-(4-chlorophenyl)-1H-pyrazol-5-ol | 5-(4-chloroph...)
Show SMILES Clc1ccc(cc1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59781
PNG
(2-(1-Allyl-6-amino-4-oxo-1,4-dihydro-pyrimidin-2-y...)
Show SMILES Nc1cc(=O)nc(SCC(=O)Nc2ccc3ccccc3c2)n1CC=C
Show InChI InChI=1S/C19H18N4O2S/c1-2-9-23-16(20)11-17(24)22-19(23)26-12-18(25)21-15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10-11H,1,9,12,20H2,(H,21,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59855
PNG
(6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)...)
Show SMILES OC(=O)CCCCCNC(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C15H20N2O5/c18-14(19)4-2-1-3-7-16-15(20)17-11-5-6-12-13(10-11)22-9-8-21-12/h5-6,10H,1-4,7-9H2,(H,18,19)(H2,16,17,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59882
PNG
(6-({[3-(ethoxycarbonyl)-4-(4-methylphenyl)-2-thien...)
Show SMILES CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1
Show InChI InChI=1S/C22H23NO5S/c1-3-28-22(27)18-17(14-10-8-13(2)9-11-14)12-29-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h4-5,8-12,15-16H,3,6-7H2,1-2H3,(H,23,24)(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59931
PNG
(2-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acet...)
Show SMILES CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
Show InChI InChI=1S/C23H24N2O5S/c1-5-14-9-15-7-6-13(2)8-17(15)25-22(14)31-12-21(26)24-18-11-20(30-4)19(29-3)10-16(18)23(27)28/h6-11H,5,12H2,1-4H3,(H,24,26)(H,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53805
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C26H20ClN3O5/c27-16-8-9-18-17(13-16)24(15-5-2-1-3-6-15)25(26(34)28-18)19-14-20(21-7-4-12-35-21)30(29-19)22(31)10-11-23(32)33/h1-9,12-13,20H,10-11,14H2,(H,28,34)(H,32,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60030
PNG
(2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-(2,4-d...)
Show SMILES Cc1ccc(Nc2nnc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)s2)c(C)c1
Show InChI InChI=1S/C21H18N6OS2/c1-12-7-8-15(13(2)9-12)25-20-26-27-21(30-20)29-11-18(28)14(10-22)19-23-16-5-3-4-6-17(16)24-19/h3-9,14H,11H2,1-2H3,(H,23,24)(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53950
PNG
(4-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C29H24ClN3O5/c1-38-20-10-7-17(8-11-20)24-16-23(32-33(24)25(34)13-14-26(35)36)28-27(18-5-3-2-4-6-18)21-15-19(30)9-12-22(21)31-29(28)37/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60123
PNG
(2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thi...)
Show SMILES OC(=O)C1C2CC(C=C2)C1C(=O)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C19H20N2O3S/c20-9-13-12-4-2-1-3-5-14(12)25-18(13)21-17(22)15-10-6-7-11(8-10)16(15)19(23)24/h6-7,10-11,15-16H,1-5,8H2,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59659
PNG
(2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-ind...)
Show SMILES Oc1cc(=O)[nH]c(SCC(=O)Nc2ccc3CCCc3c2)n1
Show InChI InChI=1S/C15H15N3O3S/c19-12-7-13(20)18-15(17-12)22-8-14(21)16-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H,16,21)(H2,17,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59684
PNG
(2-[(4-keto-6-methyl-5H-pyrimidin-2-yl)thio]-N-(4-m...)
Show SMILES COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-9-7-12(18)17-14(15-9)21-8-13(19)16-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53702
PNG
(1-[(5-bromo-2-thienyl)sulfonyl]-N-piperonyl-isonip...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H19BrN2O5S2/c19-16-3-4-17(27-16)28(23,24)21-7-5-13(6-8-21)18(22)20-10-12-1-2-14-15(9-12)26-11-25-14/h1-4,9,13H,5-8,10-11H2,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM41867
PNG
(5-(1-naphthalenyl)-1,2-dihydropyrazol-3-one | 5-(1...)
Show SMILES O=c1cc([nH][nH]1)-c1cccc2ccccc12
Show InChI InChI=1S/C13H10N2O/c16-13-8-12(14-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59715
PNG
(6-[(2,5-dichloroanilino)-oxomethyl]-1-cyclohex-3-e...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C14H13Cl2NO3/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59840
PNG
(2-(5-ethyl-6-hydroxy-4-oxo-1-prop-2-enylpyrimidin-...)
Show SMILES CCc1c(O)nc(SCC(=O)Nc2cccc3ccccc23)n(CC=C)c1=O
Show InChI InChI=1S/C21H21N3O3S/c1-3-12-24-20(27)15(4-2)19(26)23-21(24)28-13-18(25)22-17-11-7-9-14-8-5-6-10-16(14)17/h3,5-11,26H,1,4,12-13H2,2H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM37848
PNG
(2-[[3-carbethoxy-4-(4-phenylphenyl)-2-thienyl]carb...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(O)=O)scc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H25NO6S/c1-2-33-27(32)21-18(17-10-8-16(9-11-17)15-6-4-3-5-7-15)14-35-25(21)28-24(29)22-19-12-13-20(34-19)23(22)26(30)31/h3-11,14,19-20,22-23H,2,12-13H2,1H3,(H,28,29)(H,30,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59953
PNG
(4,5-Dimethoxy-2-[2-(3-methyl-quinolin-2-ylsulfanyl...)
Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O
Show InChI InChI=1S/C21H20N2O5S/c1-12-8-13-6-4-5-7-15(13)23-20(12)29-11-19(24)22-16-10-18(28-3)17(27-2)9-14(16)21(25)26/h4-10H,11H2,1-3H3,(H,22,24)(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59987
PNG
(3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfa...)
Show SMILES CCc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1
Show InChI InChI=1S/C14H15N3O2S2/c1-2-9-3-5-10(6-4-9)15-13-16-17-14(21-13)20-11-7-8-19-12(11)18/h3-6,11H,2,7-8H2,1H3,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60008
PNG
(6-[[4-(2-methylphenoxy)anilino]-oxomethyl]-1-cyclo...)
Show SMILES Cc1ccccc1Oc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1
Show InChI InChI=1S/C21H21NO4/c1-14-6-2-5-9-19(14)26-16-12-10-15(11-13-16)22-20(23)17-7-3-4-8-18(17)21(24)25/h2-6,9-13,17-18H,7-8H2,1H3,(H,22,23)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60032
PNG
(3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulf...)
Show SMILES Cc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1
Show InChI InChI=1S/C13H13N3O2S2/c1-8-2-4-9(5-3-8)14-12-15-16-13(20-12)19-10-6-7-18-11(10)17/h2-5,10H,6-7H2,1H3,(H,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60033
PNG
(MLS000390237 | N-(1,5-dimethyl-3-oxidanylidene-2-p...)
Show SMILES CC(Sc1nnc(Nc2ccc(C)cc2)s1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C23H24N6O2S2/c1-14-10-12-17(13-11-14)24-22-26-27-23(33-22)32-16(3)20(30)25-19-15(2)28(4)29(21(19)31)18-8-6-5-7-9-18/h5-13,16H,1-4H3,(H,24,26)(H,25,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60039
PNG
(2-keto-1H-pyridine-3-carboxylic acid [2-(2,5-dimet...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H18N2O4/c1-13-11-17(14(2)22(13)15-7-4-3-5-8-15)18(23)12-26-20(25)16-9-6-10-21-19(16)24/h3-11H,12H2,1-2H3,(H,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60048
PNG
(2-keto-1H-pyridine-3-carboxylic acid [2-[1-(4-brom...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(Br)cc1
Show InChI InChI=1S/C20H17BrN2O4/c1-12-10-17(13(2)23(12)15-7-5-14(21)6-8-15)18(24)11-27-20(26)16-4-3-9-22-19(16)25/h3-10H,11H2,1-2H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60055
PNG
(6-({[3-(methoxycarbonyl)-4-(4-methylphenyl)-2-thie...)
Show SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1
Show InChI InChI=1S/C21H21NO5S/c1-12-7-9-13(10-8-12)16-11-28-19(17(16)21(26)27-2)22-18(23)14-5-3-4-6-15(14)20(24)25/h3-4,7-11,14-15H,5-6H2,1-2H3,(H,22,23)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM46612
PNG
(5-(3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-th...)
Show SMILES Clc1cccc(c1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60117
PNG
(4-chloranyl-6-[(3-cyano-5,5-dimethyl-4,7-dihydroth...)
Show SMILES CC1(C)Cc2c(CO1)sc(NC(=O)C1CC(Cl)=CCC1C(O)=O)c2C#N
Show InChI InChI=1S/C18H19ClN2O4S/c1-18(2)6-12-13(7-20)16(26-14(12)8-25-18)21-15(22)11-5-9(19)3-4-10(11)17(23)24/h3,10-11H,4-6,8H2,1-2H3,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60119
PNG
(4-chloranyl-6-[(3-cyano-5-methyl-4,5,6,7-tetrahydr...)
Show SMILES CC1CCc2sc(NC(=O)C3CC(Cl)=CCC3C(O)=O)c(C#N)c2C1
Show InChI InChI=1S/C18H19ClN2O3S/c1-9-2-5-15-12(6-9)14(8-20)17(25-15)21-16(22)13-7-10(19)3-4-11(13)18(23)24/h3,9,11,13H,2,4-7H2,1H3,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60201
PNG
(MLS000775166 | N-(9-ethyl-3-carbazolyl)-2-[(6-oxo-...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CSc3nccc(=O)[nH]3)ccc12
Show InChI InChI=1S/C20H18N4O2S/c1-2-24-16-6-4-3-5-14(16)15-11-13(7-8-17(15)24)22-19(26)12-27-20-21-10-9-18(25)23-20/h3-11H,2,12H2,1H3,(H,22,26)(H,21,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59651
PNG
(6-({[4-(2-furyl)-3-(methoxycarbonyl)thien-2-yl]ami...)
Show SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccco1
Show InChI InChI=1S/C18H17NO6S/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h2-4,7-11H,5-6H2,1H3,(H,19,20)(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59771
PNG
(6-[(3-chloroanilino)-oxomethyl]-1-cyclohex-3-eneca...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H14ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h1-5,8,11-12H,6-7H2,(H,16,17)(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53751
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-N-[2-(cyclohex...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C18H25BrN2O3S2/c19-16-6-7-17(25-16)26(23,24)21-12-9-15(10-13-21)18(22)20-11-8-14-4-2-1-3-5-14/h4,6-7,15H,1-3,5,8-13H2,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59842
PNG
(2-(6-hydroxy-1-methyl-4-oxopyrimidin-2-yl)sulfanyl...)
Show SMILES COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1
Show InChI InChI=1S/C14H15N3O4S/c1-17-13(20)7-11(18)16-14(17)22-8-12(19)15-9-3-5-10(21-2)6-4-9/h3-7,18H,8H2,1-2H3,(H,15,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM37847
PNG
(2-[[3-carbethoxy-5-methyl-4-(p-tolyl)-2-thienyl]ca...)
Show SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(O)=O)sc(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO6S/c1-4-29-23(28)19-16(13-7-5-11(2)6-8-13)12(3)31-21(19)24-20(25)17-14-9-10-15(30-14)18(17)22(26)27/h5-8,14-15,17-18H,4,9-10H2,1-3H3,(H,24,25)(H,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53832
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C26H20ClN3O4S/c27-16-8-9-18-17(13-16)24(15-5-2-1-3-6-15)25(26(34)28-18)19-14-20(21-7-4-12-35-21)30(29-19)22(31)10-11-23(32)33/h1-9,12-13,20H,10-11,14H2,(H,28,34)(H,32,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59994
PNG
(6-[[4-(4-chloranylphenoxy)phenyl]carbamoyl]cyclohe...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H18ClNO4/c21-13-5-9-15(10-6-13)26-16-11-7-14(8-12-16)22-19(23)17-3-1-2-4-18(17)20(24)25/h1-2,5-12,17-18H,3-4H2,(H,22,23)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60023
PNG
(MLS000698897 | N-(1,2-dihydro-5-acenaphthylenyl)-2...)
Show SMILES Cc1c(O)nc(SCC(=O)Nc2ccc3CCc4cccc2c34)n(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C25H20FN3O3S/c1-14-23(31)28-25(29(24(14)32)18-10-8-17(26)9-11-18)33-13-21(30)27-20-12-7-16-6-5-15-3-2-4-19(20)22(15)16/h2-4,7-12,31H,5-6,13H2,1H3,(H,27,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60024
PNG
(MLS000698895 | N-(1,2-dihydro-5-acenaphthylenyl)-2...)
Show SMILES Cc1c(O)nc(SCC(=O)Nc2ccc3CCc4cccc2c34)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C25H21N3O3S/c1-15-23(30)27-25(28(24(15)31)18-7-3-2-4-8-18)32-14-21(29)26-20-13-12-17-11-10-16-6-5-9-19(20)22(16)17/h2-9,12-13,30H,10-11,14H2,1H3,(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60035
PNG
(2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2...)
Show SMILES O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O
Show InChI InChI=1S/C18H20N6O3S2/c25-13(23-24-14(26)18(20-16(24)27)9-5-2-6-10-18)11-28-17-22-21-15(29-17)19-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,19,21)(H,20,27)(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM54099
PNG
(5-(1-Acetyl-5-phenyl-pyrazolidin-3-ylidene)-1,3-di...)
Show SMILES CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O
Show InChI InChI=1S/C17H18N4O4/c1-10(22)21-13(11-7-5-4-6-8-11)9-12(18-21)14-15(23)19(2)17(25)20(3)16(14)24/h4-8,13-14H,9H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59683
PNG
(MLS000093089 | N-(3,4-dimethylphenyl)-2-[(4-keto-1...)
Show SMILES Cc1ccc(NC(=O)CSc2nc3CCCc3c(=O)[nH]2)cc1C
Show InChI InChI=1S/C17H19N3O2S/c1-10-6-7-12(8-11(10)2)18-15(21)9-23-17-19-14-5-3-4-13(14)16(22)20-17/h6-8H,3-5,9H2,1-2H3,(H,18,21)(H,19,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM52174
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-N-(thiophen-2-...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
Show InChI InChI=1S/C15H17BrN2O3S3/c16-13-3-4-14(23-13)24(20,21)18-7-5-11(6-8-18)15(19)17-10-12-2-1-9-22-12/h1-4,9,11H,5-8,10H2,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59766
PNG
(6-[(5-tert-butyl-2-methoxy-phenyl)carbamoyl]cycloh...)
Show SMILES COc1ccc(cc1NC(=O)C1CC=CCC1C(O)=O)C(C)(C)C
Show InChI InChI=1S/C19H25NO4/c1-19(2,3)12-9-10-16(24-4)15(11-12)20-17(21)13-7-5-6-8-14(13)18(22)23/h5-6,9-11,13-14H,7-8H2,1-4H3,(H,20,21)(H,22,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59791
PNG
(5-(4-Methoxy-phenyl)-2H-pyrazol-3-ol | 5-(4-methox...)
Show SMILES COc1ccc(cc1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-6H,1H3,(H2,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM56450
PNG
(2-[[3-isopropoxycarbonyl-5-methyl-4-(p-tolyl)-2-th...)
Show SMILES CC(C)OC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(O)=O)sc(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27NO6S/c1-11(2)30-24(29)20-17(14-7-5-12(3)6-8-14)13(4)32-22(20)25-21(26)18-15-9-10-16(31-15)19(18)23(27)28/h5-8,11,15-16,18-19H,9-10H2,1-4H3,(H,25,26)(H,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60040
PNG
(2-keto-1H-pyridine-3-carboxylic acid [2-[1-(3,4-di...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)c(C)c1
Show InChI InChI=1S/C22H22N2O4/c1-13-7-8-17(10-14(13)2)24-15(3)11-19(16(24)4)20(25)12-28-22(27)18-6-5-9-23-21(18)26/h5-11H,12H2,1-4H3,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60044
PNG
(2-keto-1H-pyridine-3-carboxylic acid [2-[1-(4-fluo...)
Show SMILES Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O4/c1-12-10-17(13(2)23(12)15-7-5-14(21)6-8-15)18(24)11-27-20(26)16-4-3-9-22-19(16)25/h3-10H,11H2,1-2H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60071
PNG
(6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiop...)
Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1sc2CCCCCCc2c1C#N
Show InChI InChI=1S/C19H22N2O3S/c20-11-15-12-7-3-1-2-4-10-16(12)25-18(15)21-17(22)13-8-5-6-9-14(13)19(23)24/h5-6,13-14H,1-4,7-10H2,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60084
PNG
(4,5-dimethoxy-2-[2-(6-methoxy-3-methyl-quinolin-2-...)
Show SMILES COc1ccc2nc(SCC(=O)Nc3cc(OC)c(OC)cc3C(O)=O)c(C)cc2c1
Show InChI InChI=1S/C22H22N2O6S/c1-12-7-13-8-14(28-2)5-6-16(13)24-21(12)31-11-20(25)23-17-10-19(30-4)18(29-3)9-15(17)22(26)27/h5-10H,11H2,1-4H3,(H,23,25)(H,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60122
PNG
(2-[2-(3-ethyl-6-methoxy-quinolin-2-yl)sulfanyletha...)
Show SMILES CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
Show InChI InChI=1S/C23H24N2O6S/c1-5-13-8-14-9-15(29-2)6-7-17(14)25-22(13)32-12-21(26)24-18-11-20(31-4)19(30-3)10-16(18)23(27)28/h6-11H,5,12H2,1-4H3,(H,24,26)(H,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53972
PNG
(MLS000710135 | N-(2-cyclobutyl-4-keto-quinazolin-3...)
Show SMILES O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)c1cccs1
Show InChI InChI=1S/C17H15N3O2S/c21-16(14-9-4-10-23-14)19-20-15(11-5-3-6-11)18-13-8-2-1-7-12(13)17(20)22/h1-2,4,7-11H,3,5-6H2,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM54124
PNG
(MLS000778544 | N-[(5Z)-4-keto-5-(2-thenylidene)-2-...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/c1cccs1
Show InChI InChI=1S/C14H10N2O3S4/c17-13-12(9-10-5-4-8-21-10)22-14(20)16(13)15-23(18,19)11-6-2-1-3-7-11/h1-9,15H/b12-9-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53650
PNG
(1-Phenylmethanesulfonyl-piperidine-4-carboxylic ac...)
Show SMILES Fc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H23FN2O3S/c21-19-8-4-7-17(13-19)14-22-20(24)18-9-11-23(12-10-18)27(25,26)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM45405
PNG
(6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]cyc...)
Show SMILES COc1cc(NC(=O)C2CC=CCC2C(O)=O)c(OC)cc1Cl
Show InChI InChI=1S/C16H18ClNO5/c1-22-13-8-12(14(23-2)7-11(13)17)18-15(19)9-5-3-4-6-10(9)16(20)21/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59757
PNG
(6-[(4-ethylanilino)-oxomethyl]-1-cyclohex-3-enecar...)
Show SMILES CCc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1
Show InChI InChI=1S/C16H19NO3/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-4,7-10,13-14H,2,5-6H2,1H3,(H,17,18)(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53722
PNG
(2-(2-tert-butyl-4-keto-quinazolin-3-yl)isoindoline...)
Show SMILES CC(C)(C)c1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H17N3O3/c1-20(2,3)19-21-15-11-7-6-10-14(15)18(26)23(19)22-16(24)12-8-4-5-9-13(12)17(22)25/h4-11H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59817
PNG
(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-ol | 5-(3,4-d...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C11H12N2O3/c1-15-9-4-3-7(5-10(9)16-2)8-6-11(14)13-12-8/h3-6H,1-2H3,(H2,12,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60070
PNG
(3-(4-fluorophenyl)-1H-pyrazol-5-ol | 5-(4-fluoroph...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)[nH][nH]1
Show InChI InChI=1S/C9H5FN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60091
PNG
(3-({[(4-chlorophenyl)amino]carbonyl}amino)benzoic ...)
Show SMILES OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C14H11ClN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60092
PNG
(2-[4-[(4-bromophenyl)carbamoylamino]phenyl]acetic ...)
Show SMILES OC(=O)Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H13BrN2O3/c16-11-3-7-13(8-4-11)18-15(21)17-12-5-1-10(2-6-12)9-14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60098
PNG
(4-chloranyl-6-[(3-cyano-4,5-dimethyl-thiophen-2-yl...)
Show SMILES Cc1sc(NC(=O)C2CC(Cl)=CCC2C(O)=O)c(C#N)c1C
Show InChI InChI=1S/C15H15ClN2O3S/c1-7-8(2)22-14(12(7)6-17)18-13(19)11-5-9(16)3-4-10(11)15(20)21/h3,10-11H,4-5H2,1-2H3,(H,18,19)(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60133
PNG
(4,5-dimethoxy-2-[2-[(4,7,9-trimethyl-[1,2,4]triazo...)
Show SMILES COc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)c(cc1OC)C(O)=O
Show InChI InChI=1S/C24H24N4O5S/c1-12-6-13(2)21-15(7-12)8-14(3)22-26-27-24(28(21)22)34-11-20(29)25-17-10-19(33-5)18(32-4)9-16(17)23(30)31/h6-10H,11H2,1-5H3,(H,25,29)(H,30,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM46611
PNG
(5-(2-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-th...)
Show SMILES Clc1ccccc1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6ClN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60163
PNG
(MLS000685019 | N-(3,4-dimethylphenyl)-2-[(5-keto-6...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1C
Show InChI InChI=1S/C14H16N4O2S/c1-8-4-5-11(6-9(8)2)15-12(19)7-21-14-16-13(20)10(3)17-18-14/h4-6H,7H2,1-3H3,(H,15,19)(H,16,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59672
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazol-5-ol | 5-(2,4-di...)
Show SMILES Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
Show InChI InChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(14)13-12-10/h3-6H,1-2H3,(H2,12,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59724
PNG
(2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[3-(t...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H12F3N3O2S/c1-8-5-11(21)20-13(18-8)23-7-12(22)19-10-4-2-3-9(6-10)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59743
PNG
(MLS000114429 | N-[4-(diethylamino)phenyl]-2-[(4-ke...)
Show SMILES CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C17H22N4O2S/c1-4-21(5-2)14-8-6-13(7-9-14)19-16(23)11-24-17-18-12(3)10-15(22)20-17/h6-10H,4-5,11H2,1-3H3,(H,19,23)(H,18,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59769
PNG
(1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea | 1-(4-e...)
Show SMILES CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1
Show InChI InChI=1S/C17H16N4O2/c1-2-23-14-6-3-12(4-7-14)20-17(22)21-13-5-8-15-16(11-13)19-10-9-18-15/h3-11H,2H2,1H3,(H2,20,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59824
PNG
(1-(4-ethoxyphenyl)-3-thiophen-2-yl-urea | 1-(4-eth...)
Show SMILES CCOc1ccc(NC(=O)Nc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-2-17-11-7-5-10(6-8-11)14-13(16)15-12-4-3-9-18-12/h3-9H,2H2,1H3,(H2,14,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59850
PNG
(3-[(4-methylphenyl)sulfanylmethyl]-1,4-dihydropyra...)
Show SMILES Cc1ccc(SCc2cc(=O)[nH][nH]2)cc1
Show InChI InChI=1S/C11H12N2OS/c1-8-2-4-10(5-3-8)15-7-9-6-11(14)13-12-9/h2-6H,7H2,1H3,(H2,12,13,14)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59875
PNG
(2-[[3-(5-methyl-2-furanyl)anilino]-oxomethyl]-3-bi...)
Show SMILES Cc1ccc(o1)-c1cccc(NC(=O)C2C3CC(C=C3)C2C(O)=O)c1
Show InChI InChI=1S/C20H19NO4/c1-11-5-8-16(25-11)12-3-2-4-15(10-12)21-19(22)17-13-6-7-14(9-13)18(17)20(23)24/h2-8,10,13-14,17-18H,9H2,1H3,(H,21,22)(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM44998
PNG
(2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio...)
Show SMILES Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C
Show InChI InChI=1S/C21H18N4O2S/c1-13-7-6-10-17(14(13)2)23-18(26)12-28-21-24-19(15-8-4-3-5-9-15)16(11-22)20(27)25-21/h3-10H,12H2,1-2H3,(H,23,26)(H,24,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM59952
PNG
(2-[2-(3-Ethyl-quinolin-2-ylsulfanyl)-acetylamino]-...)
Show SMILES CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-4-13-9-14-7-5-6-8-16(14)24-21(13)30-12-20(25)23-17-11-19(29-3)18(28-2)10-15(17)22(26)27/h5-11H,4,12H2,1-3H3,(H,23,25)(H,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60057
PNG
(MLS000698754 | N-(1,2-dihydro-5-acenaphthylenyl)-2...)
Show SMILES Oc1cc(=O)n(c(SCC(=O)Nc2ccc3CCc4cccc2c34)n1)-c1ccccc1
Show InChI InChI=1S/C24H19N3O3S/c28-20-13-22(30)27(17-6-2-1-3-7-17)24(26-20)31-14-21(29)25-19-12-11-16-10-9-15-5-4-8-18(19)23(15)16/h1-8,11-13,28H,9-10,14H2,(H,25,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM53906
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23H,13-14,16H2,(H,30,36)(H,34,35)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60130
PNG
(1,2,3,4,7,7-hexachloro-6-[(2,5-dimethoxyanilino)-o...)
Show SMILES COc1ccc(OC)c(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)c1
Show InChI InChI=1S/C17H13Cl6NO5/c1-28-6-3-4-8(29-2)7(5-6)24-13(25)9-10(14(26)27)16(21)12(19)11(18)15(9,20)17(16,22)23/h3-5,9-10H,1-2H3,(H,24,25)(H,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM60204
PNG
(3-(1H-indol-3-yl)-2-[2-[[5-[(4-methylphenyl)amino]...)
Show SMILES Cc1ccc(Nc2nnc(SCC(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)s2)cc1
Show InChI InChI=1S/C22H21N5O3S2/c1-13-6-8-15(9-7-13)24-21-26-27-22(32-21)31-12-19(28)25-18(20(29)30)10-14-11-23-17-5-3-2-4-16(14)17/h2-9,11,18,23H,10,12H2,1H3,(H,24,26)(H,25,28)(H,29,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM52773
PNG
(MLS000777231 | N-[(5Z)-5-(1-ethyl-2-keto-indolin-3...)
Show SMILES CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O4S2/c1-2-22-13-9-5-3-7-11(13)15(18(22)26)16-19(27)23(20(28)29-16)21-17(25)12-8-4-6-10-14(12)24/h3-10,24H,2H2,1H3,(H,21,25)/b16-15-
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UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%