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PubMed code 28287264

Compile data set for download or QSAR
Found 38 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 (L and K)


(Homo sapiens (Human))
BDBM50237034
PNG
(CHEMBL4061626)
Show SMILES Fc1cnc(nc1N(CC1CCCC1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C19H19FN4O2/c20-15-9-22-18(8-21)23-19(15)24(10-13-3-1-2-4-13)11-14-5-6-16-17(7-14)26-12-25-16/h5-7,9,13H,1-4,10-12H2
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12n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237035
PNG
(CHEMBL4099881)
Show SMILES Clc1ccc(CN(C2CCCCC2)c2nc(nc(n2)N2CCOCC2)C#N)cc1
Show InChI InChI=1S/C21H25ClN6O/c22-17-8-6-16(7-9-17)15-28(18-4-2-1-3-5-18)21-25-19(14-23)24-20(26-21)27-10-12-29-13-11-27/h6-9,18H,1-5,10-13,15H2
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13n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237046
PNG
(CHEMBL4103288)
Show SMILES Fc1cnc(nc1N(CCC(F)(F)F)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C16H12F4N4O2/c17-11-7-22-14(6-21)23-15(11)24(4-3-16(18,19)20)8-10-1-2-12-13(5-10)26-9-25-12/h1-2,5,7H,3-4,8-9H2
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25n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237014
PNG
(CHEMBL4099341)
Show SMILES Fc1cnc(nc1N(CCCc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C22H18ClFN4O2/c23-17-6-3-15(4-7-17)2-1-9-28(22-18(24)12-26-21(11-25)27-22)13-16-5-8-19-20(10-16)30-14-29-19/h3-8,10,12H,1-2,9,13-14H2
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27n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237013
PNG
(CHEMBL4061015)
Show SMILES COc1cccc(CCCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)c1
Show InChI InChI=1S/C23H21FN4O3/c1-29-18-6-2-4-16(10-18)5-3-9-28(23-19(24)13-26-22(12-25)27-23)14-17-7-8-20-21(11-17)31-15-30-20/h2,4,6-8,10-11,13H,3,5,9,14-15H2,1H3
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30n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237011
PNG
(CHEMBL4094982)
Show SMILES Fc1cnc(nc1N(CCOc1ccccc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C21H17FN4O3/c22-17-12-24-20(11-23)25-21(17)26(8-9-27-16-4-2-1-3-5-16)13-15-6-7-18-19(10-15)29-14-28-18/h1-7,10,12H,8-9,13-14H2
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77n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237021
PNG
(CHEMBL4069851)
Show SMILES Fc1cnc(nc1N(CC1CC1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C17H15FN4O2/c18-13-7-20-16(6-19)21-17(13)22(8-11-1-2-11)9-12-3-4-14-15(5-12)24-10-23-14/h3-5,7,11H,1-2,8-10H2
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77n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237012
PNG
(CHEMBL4082899)
Show SMILES Fc1cnc(nc1N(CCCc1noc(n1)-c1ccccc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C24H19FN6O3/c25-18-13-27-22(12-26)28-23(18)31(14-16-8-9-19-20(11-16)33-15-32-19)10-4-7-21-29-24(34-30-21)17-5-2-1-3-6-17/h1-3,5-6,8-9,11,13H,4,7,10,14-15H2
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91n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237015
PNG
(CHEMBL4063816)
Show SMILES Fc1cnc(nc1N(CCOc1ccc2ccccc2c1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C25H19FN4O3/c26-21-14-28-24(13-27)29-25(21)30(15-17-5-8-22-23(11-17)33-16-32-22)9-10-31-20-7-6-18-3-1-2-4-19(18)12-20/h1-8,11-12,14H,9-10,15-16H2
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123n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237009
PNG
(CHEMBL4085357)
Show SMILES Fc1cnc(nc1N(CCOc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C21H16ClFN4O3/c22-15-2-4-16(5-3-15)28-8-7-27(21-17(23)11-25-20(10-24)26-21)12-14-1-6-18-19(9-14)30-13-29-18/h1-6,9,11H,7-8,12-13H2
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167n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237045
PNG
(CHEMBL4073007)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)C1CCCCC1)C#N
Show InChI InChI=1S/C19H19FN4O2/c20-15-10-22-18(9-21)23-19(15)24(14-4-2-1-3-5-14)11-13-6-7-16-17(8-13)26-12-25-16/h6-8,10,14H,1-5,11-12H2
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200n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237041
PNG
(CHEMBL4067188)
Show SMILES Fc1cnc(nc1N(CCc1ccccc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C21H17FN4O2/c22-17-12-24-20(11-23)25-21(17)26(9-8-15-4-2-1-3-5-15)13-16-6-7-18-19(10-16)28-14-27-18/h1-7,10,12H,8-9,13-14H2
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217n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237028
PNG
(CHEMBL4078113)
Show SMILES Fc1ccc(CCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)cc1
Show InChI InChI=1S/C21H16F2N4O2/c22-16-4-1-14(2-5-16)7-8-27(21-17(23)11-25-20(10-24)26-21)12-15-3-6-18-19(9-15)29-13-28-18/h1-6,9,11H,7-8,12-13H2
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279n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237016
PNG
(CHEMBL4091604)
Show SMILES Fc1cnc(nc1N(CCc1cccc(c1)C#N)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C22H16FN5O2/c23-18-12-26-21(11-25)27-22(18)28(7-6-15-2-1-3-16(8-15)10-24)13-17-4-5-19-20(9-17)30-14-29-19/h1-5,8-9,12H,6-7,13-14H2
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304n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237037
PNG
(CHEMBL4101829)
Show SMILES Fc1cnc(nc1N(CCc1cccc(Br)c1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C21H16BrFN4O2/c22-16-3-1-2-14(8-16)6-7-27(21-17(23)11-25-20(10-24)26-21)12-15-4-5-18-19(9-15)29-13-28-18/h1-5,8-9,11H,6-7,12-13H2
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358n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237018
PNG
(CHEMBL4074742)
Show SMILES Cc1nsc(n1)N1CCC(CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C21H20FN7O2S/c1-13-25-21(32-27-13)28-6-4-15(5-7-28)29(20-16(22)10-24-19(9-23)26-20)11-14-2-3-17-18(8-14)31-12-30-17/h2-3,8,10,15H,4-7,11-12H2,1H3
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411n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237025
PNG
(CHEMBL4093759)
Show SMILES Fc1cnc(nc1N(CCc1ccncc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C20H16FN5O2/c21-16-11-24-19(10-22)25-20(16)26(8-5-14-3-6-23-7-4-14)12-15-1-2-17-18(9-15)28-13-27-17/h1-4,6-7,9,11H,5,8,12-13H2
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505n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237029
PNG
(CHEMBL4097098)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)C1CCSCC1)C#N
Show InChI InChI=1S/C18H17FN4O2S/c19-14-9-21-17(8-20)22-18(14)23(13-3-5-26-6-4-13)10-12-1-2-15-16(7-12)25-11-24-15/h1-2,7,9,13H,3-6,10-11H2
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515n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237020
PNG
(CHEMBL4098566)
Show SMILES Fc1cnc(nc1N(CCc1ccsc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C19H15FN4O2S/c20-15-9-22-18(8-21)23-19(15)24(5-3-13-4-6-27-11-13)10-14-1-2-16-17(7-14)26-12-25-16/h1-2,4,6-7,9,11H,3,5,10,12H2
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671n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237031
PNG
(CHEMBL4086930)
Show SMILES Fc1ccc(cc1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C19H12F2N4O2/c20-13-2-4-14(5-3-13)25(19-15(21)9-23-18(8-22)24-19)10-12-1-6-16-17(7-12)27-11-26-16/h1-7,9H,10-11H2
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952n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237027
PNG
(CHEMBL4094638)
Show SMILES CC(C)=CCN(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C18H17FN4O2/c1-12(2)5-6-23(18-14(19)9-21-17(8-20)22-18)10-13-3-4-15-16(7-13)25-11-24-15/h3-5,7,9H,6,10-11H2,1-2H3
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1.01E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237022
PNG
(CHEMBL4096129)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccc(Oc2cccnc2)cc1)C#N
Show InChI InChI=1S/C24H16FN5O3/c25-20-13-28-23(11-26)29-24(20)30(14-16-3-8-21-22(10-16)32-15-31-21)17-4-6-18(7-5-17)33-19-2-1-9-27-12-19/h1-10,12-13H,14-15H2
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1.02E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237010
PNG
(CHEMBL4067563)
Show SMILES Cc1cc(OCCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)cc(C)c1Cl
Show InChI InChI=1S/C23H20ClFN4O3/c1-14-7-17(8-15(2)22(14)24)30-6-5-29(23-18(25)11-27-21(10-26)28-23)12-16-3-4-19-20(9-16)32-13-31-19/h3-4,7-9,11H,5-6,12-13H2,1-2H3
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1.43E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237036
PNG
(CHEMBL4072407)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C24H23FN6O3/c1-15-17(24(32)31-8-3-2-4-22(31)28-15)7-9-30(23-18(25)12-27-21(11-26)29-23)13-16-5-6-19-20(10-16)34-14-33-19/h5-6,10,12H,2-4,7-9,13-14H2,1H3
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1.75E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237044
PNG
(CHEMBL4075354)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccccc1)C#N
Show InChI InChI=1S/C19H13FN4O2/c20-15-10-22-18(9-21)23-19(15)24(14-4-2-1-3-5-14)11-13-6-7-16-17(8-13)26-12-25-16/h1-8,10H,11-12H2
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1.80E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237024
PNG
(CHEMBL4060177)
Show SMILES Fc1cnc(nc1N(CCC1CCOCC1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C20H21FN4O3/c21-16-11-23-19(10-22)24-20(16)25(6-3-14-4-7-26-8-5-14)12-15-1-2-17-18(9-15)28-13-27-17/h1-2,9,11,14H,3-8,12-13H2
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2.79E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237033
PNG
(CHEMBL4083435)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C22H25FN4O2/c1-14(2)16-4-6-17(7-5-16)27(22-18(23)11-25-21(10-24)26-22)12-15-3-8-19-20(9-15)29-13-28-19/h3,8-9,11,14,16-17H,4-7,12-13H2,1-2H3/t16-,17+
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3.02E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237030
PNG
(CHEMBL4104808)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)[C@H]1CC[C@H](CC1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N4O2/c21-15-9-26-18(8-25)27-19(15)28(14-4-2-13(3-5-14)20(22,23)24)10-12-1-6-16-17(7-12)30-11-29-16/h1,6-7,9,13-14H,2-5,10-11H2/t13-,14+
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3.50E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237026
PNG
(CHEMBL4073055)
Show SMILES Fc1cnc(nc1N(CCc1ccccn1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C20H16FN5O2/c21-16-11-24-19(10-22)25-20(16)26(8-6-15-3-1-2-7-23-15)12-14-4-5-17-18(9-14)28-13-27-17/h1-5,7,9,11H,6,8,12-13H2
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3.86E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237042
PNG
(CHEMBL4102383)
Show SMILES Fc1cnc(nc1N(Cc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C20H14ClFN4O2/c21-15-4-1-13(2-5-15)10-26(20-16(22)9-24-19(8-23)25-20)11-14-3-6-17-18(7-14)28-12-27-17/h1-7,9H,10-12H2
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237038
PNG
(CHEMBL4095211)
Show SMILES CNCCc1cccc(c1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C22H20FN5O2/c1-25-8-7-15-3-2-4-17(9-15)28(22-18(23)12-26-21(11-24)27-22)13-16-5-6-19-20(10-16)30-14-29-19/h2-6,9-10,12,25H,7-8,13-14H2,1H3
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237039
PNG
(CHEMBL4090845)
Show SMILES Fc1cnc(nc1N(Cc1ccccc1)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C20H15FN4O2/c21-16-10-23-19(9-22)24-20(16)25(11-14-4-2-1-3-5-14)12-15-6-7-17-18(8-15)27-13-26-17/h1-8,10H,11-13H2
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237023
PNG
(CHEMBL4068832)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccc(OCC(F)(F)F)cc1)C#N
Show InChI InChI=1S/C21H14F4N4O3/c22-16-9-27-19(8-26)28-20(16)29(10-13-1-6-17-18(7-13)32-12-31-17)14-2-4-15(5-3-14)30-11-21(23,24)25/h1-7,9H,10-12H2
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4-like receptor labelled with [3H]YM-09151-2 in retina


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237040
PNG
(CHEMBL4088405)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1ccc(OCC2CC2)cc1)C#N
Show InChI InChI=1S/C23H19FN4O3/c24-19-11-26-22(10-25)27-23(19)28(12-16-3-8-20-21(9-16)31-14-30-20)17-4-6-18(7-5-17)29-13-15-1-2-15/h3-9,11,15H,1-2,12-14H2
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237043
PNG
(CHEMBL4079078)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)[C@H]1CC[C@@H](CC1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F4N4O2/c21-15-9-26-18(8-25)27-19(15)28(14-4-2-13(3-5-14)20(22,23)24)10-12-1-6-16-17(7-12)30-11-29-16/h1,6-7,9,13-14H,2-5,10-11H2/t13-,14-
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237019
PNG
(CHEMBL4080539)
Show SMILES CSc1cccc(c1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C20H15FN4O2S/c1-28-15-4-2-3-14(8-15)25(20-16(21)10-23-19(9-22)24-20)11-13-5-6-17-18(7-13)27-12-26-17/h2-8,10H,11-12H2,1H3
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5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237032
PNG
(CHEMBL4070294)
Show SMILES CC1(CC1)N(Cc1ccc2OCOc2c1)c1nc(ncc1F)C#N
Show InChI InChI=1S/C17H15FN4O2/c1-17(4-5-17)22(16-12(18)8-20-15(7-19)21-16)9-11-2-3-13-14(6-11)24-10-23-13/h2-3,6,8H,4-5,9-10H2,1H3
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil elastase (HNE)


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237017
PNG
(CHEMBL4083827)
Show SMILES Fc1cnc(nc1N(Cc1ccc2OCOc2c1)c1cccc(OCc2ccccc2)c1)C#N
Show InChI InChI=1S/C26H19FN4O3/c27-22-14-29-25(13-28)30-26(22)31(15-19-9-10-23-24(11-19)34-17-33-23)20-7-4-8-21(12-20)32-16-18-5-2-1-3-6-18/h1-12,14H,15-17H2
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>5.10E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis


J Med Chem 60: 2485-2497 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%