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Compile Data Set for Download or QSAR

Found 229 hits of ph data with Target = 'Cathepsin L1'   
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))
BDBM19770
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25-/m0/s1
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PubMed
0.0400 -58.8n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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PubMed
0.0680 -57.4n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19775
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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PubMed
0.630 -52.0n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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2.20 -48.9n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19781
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1
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3.90 -47.5n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19771
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20+,25+/m1/s1
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4.20 -47.3n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19780
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21+/m1/s1
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4.5 -47.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19779
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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7.90 -45.8n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19777
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21-/m0/s1
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10 -45.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21006
PNG
((2R)-5-[(diaminomethylidene)amino]-2-[(2R)-3-(meth...)
Show SMILES CSC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C41H49N7O4S/c1-53-28-36(46-37(49)27-31-19-21-33(22-20-31)32-16-9-4-10-17-32)40(52)47-34(18-11-24-45-41(42)43)39(51)48-35(26-30-14-7-3-8-15-30)38(50)44-25-23-29-12-5-2-6-13-29/h2-10,12-17,19-22,34-36H,11,18,23-28H2,1H3,(H,44,50)(H,46,49)(H,47,52)(H,48,51)(H4,42,43,45)/t34-,35+,36+/m1/s1
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19 -44.1n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20998
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-pheny...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C40H47N7O4S/c41-40(42)44-23-10-17-33(38(50)47-34(25-29-13-6-2-7-14-29)37(49)43-24-22-28-11-4-1-5-12-28)46-39(51)35(27-52)45-36(48)26-30-18-20-32(21-19-30)31-15-8-3-9-16-31/h1-9,11-16,18-21,33-35,52H,10,17,22-27H2,(H,43,49)(H,45,48)(H,46,51)(H,47,50)(H4,41,42,44)/t33-,34+,35+/m1/s1
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21 -43.8n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20997
PNG
((2S)-N-[(1R)-4-[(diaminomethylidene)amino]-1-{[(1S...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(cc1)-c1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C57H64N8O6/c58-57(59)62-35-12-20-50(56(71)65-51(37-41-25-31-48(66)32-26-41)54(69)61-36-33-40-13-4-1-5-14-40)64-55(70)49(63-53(68)39-43-23-29-47(30-24-43)45-17-8-3-9-18-45)19-10-11-34-60-52(67)38-42-21-27-46(28-22-42)44-15-6-2-7-16-44/h1-9,13-18,21-32,49-51,66H,10-12,19-20,33-39H2,(H,60,67)(H,61,69)(H,63,68)(H,64,70)(H,65,71)(H4,58,59,62)/t49-,50+,51-/m0/s1
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23 -43.6n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20999
PNG
((2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphen...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C47H53N7O4S/c48-47(49)51-28-13-22-40(45(57)54-41(30-35-16-7-2-8-17-35)44(56)50-29-27-34-14-5-1-6-15-34)53-46(58)42(33-59-32-37-18-9-3-10-19-37)52-43(55)31-36-23-25-39(26-24-36)38-20-11-4-12-21-38/h1-12,14-21,23-26,40-42H,13,22,27-33H2,(H,50,56)(H,52,55)(H,53,58)(H,54,57)(H4,48,49,51)/t40-,41+,42+/m1/s1
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24 -43.5n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19773
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20+,25-/m1/s1
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45 -41.5n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20993
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C40H47N7O5S/c41-40(42)44-22-7-12-33(46-39(52)35(26-53)45-36(49)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30)38(51)47-34(24-28-15-19-32(48)20-16-28)37(50)43-23-21-27-8-3-1-4-9-27/h1-6,8-11,13-20,33-35,48,53H,7,12,21-26H2,(H,43,50)(H,45,49)(H,46,52)(H,47,51)(H4,41,42,44)/t33-,34+,35+/m1/s1
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45 -41.9n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19772
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25+/m0/s1
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PubMed
52 -41.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20996
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES COc1ccc(CSC[C@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C48H55N7O6S/c1-61-40-24-18-36(19-25-40)31-62-32-43(53-44(57)30-35-14-20-38(21-15-35)37-11-6-3-7-12-37)47(60)54-41(13-8-27-52-48(49)50)46(59)55-42(29-34-16-22-39(56)23-17-34)45(58)51-28-26-33-9-4-2-5-10-33/h2-7,9-12,14-25,41-43,56H,8,13,26-32H2,1H3,(H,51,58)(H,53,57)(H,54,60)(H,55,59)(H4,49,50,52)/t41-,42+,43+/m1/s1
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112 -39.7n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19776
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21+/m1/s1
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150 -38.6n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM20995
PNG
((2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphen...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C47H53N7O5S/c48-47(49)51-27-10-17-40(45(58)54-41(29-34-20-24-39(55)25-21-34)44(57)50-28-26-33-11-4-1-5-12-33)53-46(59)42(32-60-31-36-13-6-2-7-14-36)52-43(56)30-35-18-22-38(23-19-35)37-15-8-3-9-16-37/h1-9,11-16,18-25,40-42,55H,10,17,26-32H2,(H,50,57)(H,52,56)(H,53,59)(H,54,58)(H4,48,49,51)/t40-,41+,42+/m1/s1
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155 -38.9n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19774
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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160 -38.4n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21005
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-pheny...)
Show SMILES CCC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C42H51N7O4/c1-2-13-35(47-38(50)29-32-21-23-34(24-22-32)33-18-10-5-11-19-33)40(52)48-36(20-12-26-46-42(43)44)41(53)49-37(28-31-16-8-4-9-17-31)39(51)45-27-25-30-14-6-3-7-15-30/h3-11,14-19,21-24,35-37H,2,12-13,20,25-29H2,1H3,(H,45,51)(H,47,50)(H,48,52)(H,49,53)(H4,43,44,46)/t35-,36+,37-/m0/s1
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460 -36.2n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21000
PNG
((2R)-5-[(diaminomethylidene)amino]-2-[(2R)-3-{[(4-...)
Show SMILES COc1ccc(CSC[C@H](NC(=O)Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C48H55N7O5S/c1-60-40-25-21-37(22-26-40)32-61-33-43(53-44(56)31-36-19-23-39(24-20-36)38-16-9-4-10-17-38)47(59)54-41(18-11-28-52-48(49)50)46(58)55-42(30-35-14-7-3-8-15-35)45(57)51-29-27-34-12-5-2-6-13-34/h2-10,12-17,19-26,41-43H,11,18,27-33H2,1H3,(H,51,57)(H,53,56)(H,54,59)(H,55,58)(H4,49,50,52)/t41-,42+,43+/m1/s1
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464 -36.1n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21001
PNG
((2S)-N-[(1R)-4-[(diaminomethylidene)amino]-1-{[(1S...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(cc1)-c1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C57H64N8O5/c58-57(59)62-36-15-25-50(56(70)65-51(38-42-18-7-2-8-19-42)54(68)61-37-34-41-16-5-1-6-17-41)64-55(69)49(63-53(67)40-44-28-32-48(33-29-44)46-22-11-4-12-23-46)24-13-14-35-60-52(66)39-43-26-30-47(31-27-43)45-20-9-3-10-21-45/h1-12,16-23,26-33,49-51H,13-15,24-25,34-40H2,(H,60,66)(H,61,68)(H,63,67)(H,64,69)(H,65,70)(H4,58,59,62)/t49-,50+,51-/m0/s1
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511 -35.9n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21002
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Show SMILES CC[C@H](NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C41H49N7O5/c1-2-34(46-37(50)27-30-15-19-32(20-16-30)31-12-7-4-8-13-31)39(52)47-35(14-9-24-45-41(42)43)40(53)48-36(26-29-17-21-33(49)22-18-29)38(51)44-25-23-28-10-5-3-6-11-28/h3-8,10-13,15-22,34-36,49H,2,9,14,23-27H2,1H3,(H,44,51)(H,46,50)(H,47,52)(H,48,53)(H4,42,43,45)/t34-,35+,36-/m0/s1
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6.00E+3 -29.8n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21003
PNG
((2R)-5-[(diaminomethylidene)amino]-2-[(2S)-2-forma...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](C[NH3+])NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C40H48N8O5/c41-26-35(46-36(50)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30)39(53)47-33(12-7-22-45-40(42)43)38(52)48-34(24-28-15-19-32(49)20-16-28)37(51)44-23-21-27-8-3-1-4-9-27/h1-6,8-11,13-20,33-35,49H,7,12,21-26,41H2,(H,44,51)(H,46,50)(H,47,53)(H,48,52)(H4,42,43,45)/p+1/t33-,34+,35+/m1/s1
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1.07E+4 -28.4n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM21004
PNG
((3S)-3-{[(1R)-4-[(diaminomethylidene)amino]-1-{[(1...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@H](CC([O-])=O)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C41H47N7O7/c42-41(43)45-22-7-12-33(39(54)48-34(24-28-15-19-32(49)20-16-28)38(53)44-23-21-27-8-3-1-4-9-27)47-40(55)35(26-37(51)52)46-36(50)25-29-13-17-31(18-14-29)30-10-5-2-6-11-30/h1-6,8-11,13-20,33-35,49H,7,12,21-26H2,(H,44,53)(H,46,50)(H,47,55)(H,48,54)(H,51,52)(H4,42,43,45)/p-1/t33-,34+,35+/m1/s1
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5.75E+4 -24.2n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19763
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-{2-[(4-...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Nc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C26H33ClN4O3/c1-18(2)14-23(30-25(33)26(3,4)31-21-12-10-20(27)11-13-21)24(32)29-22(15-28)17-34-16-19-8-6-5-7-9-19/h5-13,18,22-23,31H,14,16-17H2,1-4H3,(H,29,32)(H,30,33)/t22-,23+/m1/s1
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n/an/a 190n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19764
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-(1H-ind...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C25H28N4O3/c1-17(2)12-22(29-25(31)23-13-19-10-6-7-11-21(19)28-23)24(30)27-20(14-26)16-32-15-18-8-4-3-5-9-18/h3-11,13,17,20,22,28H,12,15-16H2,1-2H3,(H,27,30)(H,29,31)/t20-,22+/m1/s1
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n/an/a 154n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19765
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1
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n/an/a 83n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19854
PNG
(CHEMBL426819 | CRA-013783/L-006235 | N-{1-[(cyanom...)
Show SMILES CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)
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n/an/a 6.30E+3n/a 340n/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19855
PNG
(Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...)
Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
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n/an/a 503n/a 48n/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19856
PNG
((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...)
Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)/t23-/m1/s1
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n/an/a 2.60E+3n/a 320n/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19857
PNG
(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-[2-(mor...)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C23H27N5O3S/c24-10-11-25-21(30)23(8-2-1-3-9-23)27-20(29)18-6-4-17(5-7-18)19-16-32-22(26-19)28-12-14-31-15-13-28/h4-7,16H,1-3,8-9,11-15H2,(H,25,30)(H,27,29)
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n/an/a 2.40E+4n/a>1.00E+4n/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19858
PNG
(N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpho...)
Show SMILES O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H26N4O3/c21-10-11-22-19(26)20(8-2-1-3-9-20)23-18(25)16-4-6-17(7-5-16)24-12-14-27-15-13-24/h4-7H,1-3,8-9,11-15H2,(H,22,26)(H,23,25)
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n/an/a 3.20E+4n/a>1.00E+4n/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19762
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-2-[2-(4-c...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C26H32ClN3O4/c1-18(2)14-23(30-25(32)26(3,4)34-22-12-10-20(27)11-13-22)24(31)29-21(15-28)17-33-16-19-8-6-5-7-9-19/h5-13,18,21,23H,14,16-17H2,1-4H3,(H,29,31)(H,30,32)/t21-,23+/m1/s1
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n/an/a<30n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19761
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1
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n/an/a 330n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19760
PNG
((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC(CC1)c1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C29H38N4O3/c1-22(2)17-27(29(35)31-26(18-30)21-36-20-23-9-5-3-6-10-23)32-28(34)19-33-15-13-25(14-16-33)24-11-7-4-8-12-24/h3-12,22,25-27H,13-17,19-21H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
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n/an/a 1.20E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19759
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(benzyloxy)-1-cyanoethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N
Show InChI InChI=1S/C24H29N3O4/c1-18(2)13-22(27-24(29)31-16-20-11-7-4-8-12-20)23(28)26-21(14-25)17-30-15-19-9-5-3-6-10-19/h3-12,18,21-22H,13,15-17H2,1-2H3,(H,26,28)(H,27,29)/t21-,22+/m1/s1
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n/an/a 1.70E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19758
PNG
(benzyl N-[(1S)-1-{[(1R)-2-(tert-butoxy)-1-cyanoeth...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COC(C)(C)C)C#N
Show InChI InChI=1S/C21H31N3O4/c1-15(2)11-18(19(25)23-17(12-22)14-28-21(3,4)5)24-20(26)27-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11,13-14H2,1-5H3,(H,23,25)(H,24,26)/t17-,18+/m1/s1
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n/an/a 2.80E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19757
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-[4-(trifluoromet...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C#N
Show InChI InChI=1S/C24H26F3N3O3/c1-16(2)12-21(30-23(32)33-15-18-6-4-3-5-7-18)22(31)29-20(14-28)13-17-8-10-19(11-9-17)24(25,26)27/h3-11,16,20-21H,12-13,15H2,1-2H3,(H,29,31)(H,30,32)/t20-,21-/m0/s1
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n/an/a 8.00E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19756
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(benzyloxy)phenyl]-1-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C#N
Show InChI InChI=1S/C30H33N3O4/c1-22(2)17-28(33-30(35)37-21-25-11-7-4-8-12-25)29(34)32-26(19-31)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,22,26,28H,17-18,20-21H2,1-2H3,(H,32,34)(H,33,35)/t26-,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19755
PNG
(benzyl N-[(1S)-1-{[(1S)-2-[4-(tert-butoxy)phenyl]-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C#N
Show InChI InChI=1S/C27H35N3O4/c1-19(2)15-24(30-26(32)33-18-21-9-7-6-8-10-21)25(31)29-22(17-28)16-20-11-13-23(14-12-20)34-27(3,4)5/h6-14,19,22,24H,15-16,18H2,1-5H3,(H,29,31)(H,30,32)/t22-,24-/m0/s1
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n/an/a 1.40E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19859
PNG
((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...)
Show SMILES O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H23N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
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n/an/a 55n/a 230n/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 48: 7535-43 (2005)


Article DOI: 10.1021/jm0504961
BindingDB Entry DOI: 10.7270/Q28S4N63
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19753
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(3-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(C)c1)C#N
Show InChI InChI=1S/C24H29N3O3/c1-17(2)12-22(27-24(29)30-16-19-9-5-4-6-10-19)23(28)26-21(15-25)14-20-11-7-8-18(3)13-20/h4-11,13,17,21-22H,12,14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 7.70E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19752
PNG
(benzyl N-[(1S)-1-{[(1S)-1-cyano-2-(4-methylphenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(C)cc1)C#N
Show InChI InChI=1S/C24H29N3O3/c1-17(2)13-22(27-24(29)30-16-20-7-5-4-6-8-20)23(28)26-21(15-25)14-19-11-9-18(3)10-12-19/h4-12,17,21-22H,13-14,16H2,1-3H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 9.90E+3n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


Bioorg Med Chem Lett 16: 2549-54 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.104
BindingDB Entry DOI: 10.7270/Q2XG9PFB
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19745
PNG
(2-Cyano-pyrimidine, 17j | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1
Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)
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n/an/a 0.580n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19744
PNG
(2-Cyano-pyrimidine, 17i | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)
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n/an/a 0.680n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19743
PNG
(2-Cyano-pyrimidine, 17h | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N
Show InChI InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-9-8-18-4-6-19(7-5-18)33-13-12-31-11-10-26-17-31/h4-7,10-11,15,17H,8-9,12-13,16H2,1-3H3,(H,27,32)(H,28,29,30)
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Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19742
PNG
(2-Cyano-pyrimidine, 17g | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
Show InChI InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)
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PubMed
n/an/a 1.70n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM19741
PNG
(2-Cyano-pyrimidine, 17f | 2-cyano-4-[(2,2-dimethyl...)
Show SMILES CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
Show InChI InChI=1S/C25H35N7O/c1-25(2,3)18-29-23-21(16-28-22(15-26)30-23)24(33)27-10-9-19-5-7-20(8-6-19)17-32-13-11-31(4)12-14-32/h5-8,16H,9-14,17-18H2,1-4H3,(H,27,33)(H,28,29,30)
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PubMed
n/an/a 0.330n/an/an/an/a5.522



Novartis Pharmaceuticals



Assay Description
The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...


J Med Chem 50: 591-4 (2007)


Article DOI: 10.1021/jm0613525
BindingDB Entry DOI: 10.7270/Q22805X5
More data for this
Ligand-Target Pair
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