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PubMed code 20933415

Compile data set for download or QSAR
Found 50 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))
BDBM50330034
PNG
(Bis(3-bromophenyl)(4-hydroxy)thiosemicarbazone | C...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C14H11Br2N3OS/c15-10-3-1-2-8(6-10)13(18-19-14(17)21)9-4-5-12(20)11(16)7-9/h1-7,20H,(H3,17,19,21)
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n/an/a 126n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330030
PNG
(CHEMBL1269632 | [(3-Bromophenyl)-(3-hydroxyphenyl)...)
Show SMILES NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1
Show InChI InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)
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n/an/a 131n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330031
PNG
(CHEMBL1272261 | [(3-Bromophenyl)-(3-acetoxyphenyl)...)
Show SMILES CC(=O)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C16H14BrN3O2S/c1-10(21)22-14-7-3-5-12(9-14)15(19-20-16(18)23)11-4-2-6-13(17)8-11/h2-9H,1H3,(H3,18,20,23)
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n/an/a 151n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330036
PNG
(Bis(3-bromophenyl)(5-hydroxy)thiosemicarbazone | C...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cc(O)cc(Br)c1
Show InChI InChI=1S/C14H11Br2N3OS/c15-10-3-1-2-8(4-10)13(18-19-14(17)21)9-5-11(16)7-12(20)6-9/h1-7,20H,(H3,17,19,21)
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n/an/a 232n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330041
PNG
((3-Bromophenyl)(3-bromothiophene)thiosemicarbazone...)
Show SMILES NC(=S)NN=C(c1sccc1Br)c1cccc(Br)c1
Show InChI InChI=1S/C12H9Br2N3S2/c13-8-3-1-2-7(6-8)10(16-17-12(15)18)11-9(14)4-5-19-11/h1-6H,(H3,15,17,18)
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n/an/a 370n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330042
PNG
((3-Bromophenyl)(4-bromothiophene)thiosemicarbazone...)
Show SMILES NC(=S)NN=C(c1cc(Br)cs1)c1cccc(Br)c1
Show InChI InChI=1S/C12H9Br2N3S2/c13-8-3-1-2-7(4-8)11(16-17-12(15)18)10-5-9(14)6-19-10/h1-6H,(H3,15,17,18)
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n/an/a 815n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330043
PNG
((3-Bromophenyl)(5-bromothiophene)thiosemicarbazone...)
Show SMILES NC(=S)NN=C(c1ccc(Br)s1)c1cccc(Br)c1
Show InChI InChI=1S/C12H9Br2N3S2/c13-8-3-1-2-7(6-8)11(16-17-12(15)18)9-4-5-10(14)19-9/h1-6H,(H3,15,17,18)
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n/an/a 931n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330045
PNG
((3-Bromobenzoylpyridine)thiosemicarbazone | CHEMBL...)
Show SMILES NC(=S)NN=C(c1cccnc1)c1cccc(Br)c1
Show InChI InChI=1S/C13H11BrN4S/c14-11-5-1-3-9(7-11)12(17-18-13(15)19)10-4-2-6-16-8-10/h1-8H,(H3,15,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330039
PNG
(CHEMBL1271602 | [(3,4,5-Trimethoxyphenyl)-(4-metho...)
Show SMILES COc1ccc(cc1O)C(=NNC(N)=S)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H21N3O5S/c1-23-13-6-5-10(7-12(13)22)16(20-21-18(19)27)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H3,19,21,27)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330031
PNG
(CHEMBL1272261 | [(3-Bromophenyl)-(3-acetoxyphenyl)...)
Show SMILES CC(=O)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C16H14BrN3O2S/c1-10(21)22-14-7-3-5-12(9-14)15(19-20-16(18)23)11-4-2-6-13(17)8-11/h2-9H,1H3,(H3,18,20,23)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330039
PNG
(CHEMBL1271602 | [(3,4,5-Trimethoxyphenyl)-(4-metho...)
Show SMILES COc1ccc(cc1O)C(=NNC(N)=S)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H21N3O5S/c1-23-13-6-5-10(7-12(13)22)16(20-21-18(19)27)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H3,19,21,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330051
PNG
(CHEMBL1269810 | [2-Phenylacetophenone]thiosemicarb...)
Show SMILES NC(=S)NN=C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15N3S/c16-15(19)18-17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,16,18,19)
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n/an/a 5.41E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330034
PNG
(Bis(3-bromophenyl)(4-hydroxy)thiosemicarbazone | C...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C14H11Br2N3OS/c15-10-3-1-2-8(6-10)13(18-19-14(17)21)9-4-5-12(20)11(16)7-9/h1-7,20H,(H3,17,19,21)
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n/an/a 9.49E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330049
PNG
(CHEMBL1271603 | [(3-Bromophenyl)-(5,6,7,8-tetrahyd...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1ccc2CCCCc2c1
Show InChI InChI=1S/C18H18BrN3S/c19-16-7-3-6-14(11-16)17(21-22-18(20)23)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H3,20,22,23)
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n/an/a 9.65E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330029
PNG
((3-Hydroxyphenyl)thiosemicarbazone | CHEMBL1269631)
Show SMILES NC(=S)NN=C(c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C14H13N3OS/c15-14(19)17-16-13(10-5-2-1-3-6-10)11-7-4-8-12(18)9-11/h1-9,18H,(H3,15,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330033
PNG
(CHEMBL1272310 | [[3-(t-Butyldimethylsilyl)oxypheny...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C20H26BrN3OSSi/c1-20(2,3)27(4,5)25-17-11-7-9-15(13-17)18(23-24-19(22)26)14-8-6-10-16(21)12-14/h6-13H,1-5H3,(H3,22,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330035
PNG
(CHEMBL1271492 | [4-Bromo(t-butyldimethylsilyl)oxyp...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1Br)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C20H25Br2N3OSSi/c1-20(2,3)28(4,5)26-17-10-9-14(12-16(17)22)18(24-25-19(23)27)13-7-6-8-15(21)11-13/h6-12H,1-5H3,(H3,23,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330036
PNG
(Bis(3-bromophenyl)(5-hydroxy)thiosemicarbazone | C...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cc(O)cc(Br)c1
Show InChI InChI=1S/C14H11Br2N3OS/c15-10-3-1-2-8(4-10)13(18-19-14(17)21)9-5-11(16)7-12(20)6-9/h1-7,20H,(H3,17,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330037
PNG
(CHEMBL1271545 | [5-Bromo(t-butyldimethylsilyl)oxyp...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1cc(Br)cc(c1)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C20H25Br2N3OSSi/c1-20(2,3)28(4,5)26-17-11-14(10-16(22)12-17)18(24-25-19(23)27)13-7-6-8-15(21)9-13/h6-12H,1-5H3,(H3,23,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330042
PNG
((3-Bromophenyl)(4-bromothiophene)thiosemicarbazone...)
Show SMILES NC(=S)NN=C(c1cc(Br)cs1)c1cccc(Br)c1
Show InChI InChI=1S/C12H9Br2N3S2/c13-8-3-1-2-7(4-8)11(16-17-12(15)18)10-5-9(14)6-19-10/h1-6H,(H3,15,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330052
PNG
(CHEMBL1269811 | [9-Fluorenone]-thiosemicarbazone)
Show SMILES NC(=S)NN=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H11N3S/c15-14(18)17-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H3,15,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330032
PNG
(2-((3-(benzyloxy)phenyl)(3-bromophenyl)methylene)h...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H18BrN3OS/c22-18-10-4-8-16(12-18)20(24-25-21(23)27)17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,23,25,27)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330048
PNG
(CHEMBL1269734 | [(3-Bromophenyl)-cyclohexylketone]...)
Show SMILES NC(=S)NN=C(C1CCCCC1)c1cccc(Br)c1
Show InChI InChI=1S/C14H18BrN3S/c15-12-8-4-7-11(9-12)13(17-18-14(16)19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H3,16,18,19)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330050
PNG
(CHEMBL1269809 | [Bis-diphenylketone]thiosemicarbaz...)
Show SMILES NC(=S)NN=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H13N3S/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,15,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330051
PNG
(CHEMBL1269810 | [2-Phenylacetophenone]thiosemicarb...)
Show SMILES NC(=S)NN=C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H15N3S/c16-15(19)18-17-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,16,18,19)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330052
PNG
(CHEMBL1269811 | [9-Fluorenone]-thiosemicarbazone)
Show SMILES NC(=S)NN=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H11N3S/c15-14(18)17-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H3,15,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330033
PNG
(CHEMBL1272310 | [[3-(t-Butyldimethylsilyl)oxypheny...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C20H26BrN3OSSi/c1-20(2,3)27(4,5)25-17-11-7-9-15(13-17)18(23-24-19(22)26)14-8-6-10-16(21)12-14/h6-13H,1-5H3,(H3,22,24,26)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330038
PNG
(2-((3-bromo-2-hydroxyphenyl)(3-bromophenyl)methyle...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cccc(Br)c1O
Show InChI InChI=1S/C14H11Br2N3OS/c15-9-4-1-3-8(7-9)12(18-19-14(17)21)10-5-2-6-11(16)13(10)20/h1-7,20H,(H3,17,19,21)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330047
PNG
(2-((3-bromophenyl)(2-bromopyridin-3-yl)methylene)h...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cccnc1Br
Show InChI InChI=1S/C13H10Br2N4S/c14-9-4-1-3-8(7-9)11(18-19-13(16)20)10-5-2-6-17-12(10)15/h1-7H,(H3,16,19,20)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330047
PNG
(2-((3-bromophenyl)(2-bromopyridin-3-yl)methylene)h...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cccnc1Br
Show InChI InChI=1S/C13H10Br2N4S/c14-9-4-1-3-8(7-9)11(18-19-13(16)20)10-5-2-6-17-12(10)15/h1-7H,(H3,16,19,20)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330030
PNG
(CHEMBL1269632 | [(3-Bromophenyl)-(3-hydroxyphenyl)...)
Show SMILES NC(=S)NN=C(c1cccc(O)c1)c1cccc(Br)c1
Show InChI InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330041
PNG
((3-Bromophenyl)(3-bromothiophene)thiosemicarbazone...)
Show SMILES NC(=S)NN=C(c1sccc1Br)c1cccc(Br)c1
Show InChI InChI=1S/C12H9Br2N3S2/c13-8-3-1-2-7(6-8)10(16-17-12(15)18)11-9(14)4-5-19-11/h1-6H,(H3,15,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330044
PNG
(CHEMBL1269714 | [(3-Benzoylpyridine)-ketone]thiose...)
Show SMILES NC(=S)NN=C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C13H12N4S/c14-13(18)17-16-12(10-5-2-1-3-6-10)11-7-4-8-15-9-11/h1-9H,(H3,14,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330044
PNG
(CHEMBL1269714 | [(3-Benzoylpyridine)-ketone]thiose...)
Show SMILES NC(=S)NN=C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C13H12N4S/c14-13(18)17-16-12(10-5-2-1-3-6-10)11-7-4-8-15-9-11/h1-9H,(H3,14,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330046
PNG
(2-((3-bromophenyl)(6-bromopyridin-3-yl)methylene)h...)
Show SMILES NC(=S)NN=C(c1ccc(Br)nc1)c1cccc(Br)c1
Show InChI InChI=1S/C13H10Br2N4S/c14-10-3-1-2-8(6-10)12(18-19-13(16)20)9-4-5-11(15)17-7-9/h1-7H,(H3,16,19,20)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330029
PNG
((3-Hydroxyphenyl)thiosemicarbazone | CHEMBL1269631)
Show SMILES NC(=S)NN=C(c1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C14H13N3OS/c15-14(19)17-16-13(10-5-2-1-3-6-10)11-7-4-8-12(18)9-11/h1-9,18H,(H3,15,17,19)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330040
PNG
(CHEMBL1269658 | [(3-Benzoylthiophene)-ketone]thios...)
Show SMILES NC(=S)NN=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C12H11N3S2/c13-12(16)15-14-11(10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8H,(H3,13,15,16)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330038
PNG
(2-((3-bromo-2-hydroxyphenyl)(3-bromophenyl)methyle...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cccc(Br)c1O
Show InChI InChI=1S/C14H11Br2N3OS/c15-9-4-1-3-8(7-9)12(18-19-14(17)21)10-5-2-6-11(16)13(10)20/h1-7,20H,(H3,17,19,21)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330037
PNG
(CHEMBL1271545 | [5-Bromo(t-butyldimethylsilyl)oxyp...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1cc(Br)cc(c1)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C20H25Br2N3OSSi/c1-20(2,3)28(4,5)26-17-11-14(10-16(22)12-17)18(24-25-19(23)27)13-7-6-8-15(21)9-13/h6-12H,1-5H3,(H3,23,25,27)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330053
PNG
(CHEMBL1269066 | [2,7-Dibromo-9H-fluoren-9-one]-thi...)
Show SMILES NC(=S)NN=C1c2cc(Br)ccc2-c2ccc(Br)cc12
Show InChI InChI=1S/C14H9Br2N3S/c15-7-1-3-9-10-4-2-8(16)6-12(10)13(11(9)5-7)18-19-14(17)20/h1-6H,(H3,17,19,20)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330050
PNG
(CHEMBL1269809 | [Bis-diphenylketone]thiosemicarbaz...)
Show SMILES NC(=S)NN=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H13N3S/c15-14(18)17-16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,15,17,18)
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330049
PNG
(CHEMBL1271603 | [(3-Bromophenyl)-(5,6,7,8-tetrahyd...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1ccc2CCCCc2c1
Show InChI InChI=1S/C18H18BrN3S/c19-16-7-3-6-14(11-16)17(21-22-18(20)23)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H3,20,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330043
PNG
((3-Bromophenyl)(5-bromothiophene)thiosemicarbazone...)
Show SMILES NC(=S)NN=C(c1ccc(Br)s1)c1cccc(Br)c1
Show InChI InChI=1S/C12H9Br2N3S2/c13-8-3-1-2-7(6-8)11(16-17-12(15)18)9-4-5-10(14)19-9/h1-6H,(H3,15,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330040
PNG
(CHEMBL1269658 | [(3-Benzoylthiophene)-ketone]thios...)
Show SMILES NC(=S)NN=C(c1cccs1)c1ccccc1
Show InChI InChI=1S/C12H11N3S2/c13-12(16)15-14-11(10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8H,(H3,13,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330035
PNG
(CHEMBL1271492 | [4-Bromo(t-butyldimethylsilyl)oxyp...)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(cc1Br)C(=NNC(N)=S)c1cccc(Br)c1
Show InChI InChI=1S/C20H25Br2N3OSSi/c1-20(2,3)28(4,5)26-17-10-9-14(12-16(17)22)18(24-25-19(23)27)13-7-6-8-15(21)11-13/h6-12H,1-5H3,(H3,23,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330053
PNG
(CHEMBL1269066 | [2,7-Dibromo-9H-fluoren-9-one]-thi...)
Show SMILES NC(=S)NN=C1c2cc(Br)ccc2-c2ccc(Br)cc12
Show InChI InChI=1S/C14H9Br2N3S/c15-7-1-3-9-10-4-2-8(16)6-12(10)13(11(9)5-7)18-19-14(17)20/h1-6H,(H3,17,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330046
PNG
(2-((3-bromophenyl)(6-bromopyridin-3-yl)methylene)h...)
Show SMILES NC(=S)NN=C(c1ccc(Br)nc1)c1cccc(Br)c1
Show InChI InChI=1S/C13H10Br2N4S/c14-10-3-1-2-8(6-10)12(18-19-13(16)20)9-4-5-11(15)17-7-9/h1-7H,(H3,16,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330045
PNG
((3-Bromobenzoylpyridine)thiosemicarbazone | CHEMBL...)
Show SMILES NC(=S)NN=C(c1cccnc1)c1cccc(Br)c1
Show InChI InChI=1S/C13H11BrN4S/c14-11-5-1-3-9(7-11)12(17-18-13(15)19)10-4-2-6-16-8-10/h1-8H,(H3,15,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50330048
PNG
(CHEMBL1269734 | [(3-Bromophenyl)-cyclohexylketone]...)
Show SMILES NC(=S)NN=C(C1CCCCC1)c1cccc(Br)c1
Show InChI InChI=1S/C14H18BrN3S/c15-12-8-4-7-11(9-12)13(17-18-14(16)19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H3,16,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50330032
PNG
(2-((3-(benzyloxy)phenyl)(3-bromophenyl)methylene)h...)
Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H18BrN3OS/c22-18-10-4-8-16(12-18)20(24-25-21(23)27)17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,23,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis


Bioorg Med Chem Lett 20: 6610-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.026
BindingDB Entry DOI: 10.7270/Q2MP53HZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%